%chk=000114583.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114583

0 1
 S    1.983300       3.628800     -0.1764000    
 S   -1.794200      -1.811000      0.6693000    
 O    1.203000       3.394400      -1.591900    
 O   -1.009400      -1.484100       2.063700    
 O   0.9706000       3.893700      0.8323000    
 O    3.071500       4.563400     -0.4055000    
 O   -2.847600      -2.762200      0.9833000    
 O  -0.8042000      -2.103500     -0.3528000    
 N    6.133900      0.6515000      0.3237000    
 N   -5.997000       1.065400      3.2200001E-02
 N    8.310500     -0.1698000      3.2099999E-02
 N   -8.285500      0.5554000      4.3600000E-02
 N    6.408300      -1.602800     -0.2607000    
 N   -6.649600      -1.151000     -0.3683000    
 N    8.623700      -2.472100     -0.5673000    
 N   -8.984500      -1.704000     -0.3618000    
 N    10.46340      -1.047700     -0.2749000    
 N   -10.56010     -1.5300000E-02  4.4300001E-02
 N    6.745500      -3.847700     -0.8478000    
 N   -7.362700      -3.350200     -0.7599000    
 C    1.953700      0.9762000      0.5697000    
 C   -1.829700      0.7957000     -0.2247000    
 C    2.718200       2.082200      0.1979000    
 C   -2.557300     -0.3003000      0.2134000    
 C   0.5011000       1.043700      0.6681000    
 C  -0.3608000      0.7460000     -0.3306000    
 C    4.106600       1.974400      0.1160000    
 C   -3.946700     -0.2108000      0.2989000    
 C    4.730100      0.7608000      0.4060000    
 C   -4.592200      0.9741000     -5.4699998E-02
 C    2.577300     -0.2373000      0.8597000    
 C   -2.459200       1.979900     -0.5793000    
 C    3.965400     -0.3450000      0.7777000    
 C   -3.848500       2.069400     -0.4939000    
 C    6.990600     -0.4238000      1.7800000E-02
 C   -7.025100      0.1123000     -0.1041000    
 C    9.064500      -1.239200     -0.2696000    
 C   -9.211200     -0.4069000     -9.8300003E-02
 C    7.285400      -2.579400     -0.5436000    
 C   -7.681100      -2.002900     -0.4836000    
 H   0.1168000       1.337200       1.642500    
 H   1.8400000E-02  0.4498000      -1.306300    
 H    4.724200       2.819500     -0.1754000    
 H   -4.513400      -1.047800      0.6899000    
 H    1.997600      -1.107000       1.160700    
 H   -1.896000       2.843500     -0.9220000    
 H    4.410600      -1.295100       1.053600    
 H   -4.339700       2.998100     -0.7727000    
 H    6.627600       1.536500      0.3901000    
 H   -6.351500       2.015000      9.5600002E-02
 H   0.3100000       2.986200      -1.529400    
 H   -1.580000      -1.187900       2.811300    
 H    10.84110     -0.1361000     -5.6299999E-02
 H    11.07060      -1.824700     -0.4960000    
 H   -11.29130     -0.7062000     -5.3399999E-02
 H   -10.77870      0.9510000      0.2439000    
 H    7.367600      -4.613300      -1.067200    
 H    5.743000      -3.975400     -0.8419000    
 H   -8.106600      -4.027700     -0.8543000    
 H   -6.394200      -3.621500     -0.8587000    


%chk=000114583-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114583

0 1
S 2.292504 3.999299 0.101119
S -2.225945 -2.421440 -0.082511
O 1.729576 4.076728 -1.673079
O -1.644693 -2.534190 1.685429
O 0.986475 4.242105 1.029996
O 3.572913 4.971646 0.292385
O -3.503897 -3.395693 -0.279001
O -0.927604 -2.654334 -1.024980
N 6.259196 0.722766 0.002226
N -6.137092 1.033094 0.107968
N 8.445498 -0.006634 -0.012097
N -8.434820 0.739822 0.061791
N 6.637163 -1.642950 -0.084991
N -6.962925 -1.196015 -0.086025
N 8.968664 -2.390805 -0.100595
N -9.385753 -1.506090 -0.142186
N 10.657913 -0.771627 -0.025775
N -10.749583 0.389844 0.011141
N 7.196295 -3.914280 -0.173372
N -7.903905 -3.320813 -0.288464
C 1.961574 1.117697 0.002200
C -1.859841 0.452808 0.083217
C 2.878305 2.204282 0.038355
C -2.794181 -0.617124 0.021936
C 0.508174 1.289021 0.000754
C -0.407429 0.269785 0.079641
C 4.272074 2.091916 0.034778
C -4.185786 -0.503409 0.028801
C 4.855214 0.797928 -0.002230
C -4.751832 0.795879 0.098842
C 2.599215 -0.163846 -0.045919
C -2.480238 1.742195 0.166740
C 3.989047 -0.333679 -0.049175
C -3.868566 1.913141 0.175180
C 7.121020 -0.368958 -0.033696
C -7.201799 0.138682 0.024113
C 9.320235 -1.063246 -0.046641
C -9.487098 -0.140338 -0.023563
C 7.618691 -2.613114 -0.118021
C -8.099024 -1.973208 -0.169269
H 0.149120 2.320303 -0.060181
H -0.053782 -0.763694 0.135760
H 4.887373 2.998773 0.067706
H -4.847884 -1.371763 -0.027798
H 1.969574 -1.057064 -0.102318
H -1.843954 2.628175 0.249257
H 4.439975 -1.326284 -0.091149
H -4.282909 2.926113 0.247235
H 6.775548 1.606685 0.037401
H -6.451708 2.004516 0.179832
H 1.393147 5.005934 -1.837456
H -1.316000 -3.469367 1.829643
H 10.954588 0.199884 0.013049
H 11.330278 -1.533707 -0.051035
H -11.549015 -0.235075 -0.050994
H -10.864486 1.396025 0.097922
H 7.889666 -4.657242 -0.202483
H 6.200314 -4.116049 -0.194930
H -8.709651 -3.936990 -0.355480
H -6.951829 -3.681617 -0.315006


