%chk=000017980.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017980

0 1
 O  -0.8853000     -9.9999997E-05 -3.1999999E-03
 O    1.231500      0.7674000       1.446900    
 O   0.2344000       1.255800      -1.570700    
 N   -4.580700     -0.2947000     -0.4559000    
 C   -3.236200     -0.4059000      0.1417000    
 C   -3.277400      8.1000000E-02   1.603000    
 C   -3.849700       1.489400       1.733800    
 C   -5.132200       1.063800     -0.4014000    
 C   -5.201200       1.579000       1.036400    
 C   -2.112400      0.2929000     -0.6393000    
 C   -4.653200     -0.8367000      -1.809800    
 C   -6.090000     -0.8996000      -2.299700    
 C    1.504600      0.1210000      0.1868000    
 C   0.2447000      0.5479000     -0.5707000    
 C    1.585400      -1.393300      0.3923000    
 C    2.804900      0.6606000     -0.4140000    
 C    2.063400      -1.909100       1.597000    
 C    2.956200      0.7320000      -1.798800    
 C    1.180700      -2.257900     -0.6248000    
 C    3.838400       1.081100      0.4231000    
 C    1.098600       2.164100       1.274900    
 C    2.136900      -3.289400       1.784500    
 C    4.141000       1.223800      -2.346600    
 C    1.254200      -3.638100     -0.4372000    
 C    5.023200       1.573000     -0.1247000    
 C   0.8134000       2.801500       2.618100    
 C    1.732300      -4.153800      0.7676000    
 C    5.174400       1.644400      -1.509600    
 H   -2.979100      -1.473300      0.1958000    
 H   -2.284100      4.3499999E-02   2.064800    
 H   -3.906700     -0.6062000       2.185400    
 H   -3.960600       1.748500       2.792700    
 H   -3.157600       2.220600       1.300500    
 H   -4.545400       1.755600      -1.018300    
 H   -6.161000       1.099200     -0.7725000    
 H   -5.551100       2.617600       1.042000    
 H   -5.938700      0.9921000       1.599300    
 H   -2.258400       1.377700     -0.6782000    
 H   -2.060600     -8.9199997E-02  -1.664200    
 H   -4.252400      -1.857600      -1.813000    
 H   -4.066100     -0.2503000      -2.525700    
 H   -6.478500      8.1100002E-02  -2.590500    
 H   -6.756500      -1.340500      -1.550500    
 H   -6.142700      -1.531600      -3.193500    
 H    2.392300      -1.256600       2.401100    
 H    2.201000      0.3620000      -2.484800    
 H   0.8154000      -1.880700      -1.575900    
 H    3.757800       1.015500       1.504800    
 H    1.983800       2.656000      0.8666000    
 H   0.2425000       2.443800      0.6531000    
 H    2.511100      -3.691100       2.721600    
 H    4.264600       1.266700      -3.424800    
 H   0.9417000      -4.311500      -1.229900    
 H    5.830400       1.894900      0.5267000    
 H   0.6897000       3.884200       2.522500    
 H    1.630300       2.601700       3.319600    
 H  -9.6500002E-02   2.380900       3.059800    
 H    1.790500      -5.228500      0.9131000    
 H    6.098600       2.023300      -1.936100    


%chk=000017980-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000017980

0 1
O -0.802571 -0.462941 -0.669909
O 1.123839 0.598682 1.597681
O -0.135784 1.748882 -0.952910
N -4.593973 -0.153706 -0.398618
C -3.177458 -0.228510 0.046327
C -2.905591 0.847088 1.126333
C -3.310300 2.263984 0.657578
C -5.015899 1.181181 -0.891048
C -4.780204 2.266947 0.180109
C -2.179409 -0.141400 -1.150273
C -5.055639 -1.293811 -1.226979
C -6.559836 -1.587716 -1.053549
C 1.391263 0.143443 0.195121
C 0.108140 0.575271 -0.571796
C 1.528909 -1.388587 0.275532
C 2.684044 0.771088 -0.353837
C 1.113280 -2.102369 1.423591
C 2.771825 1.458399 -1.587568
C 2.061678 -2.099782 -0.827654
C 3.861221 0.600163 0.422547
C 1.179763 2.061202 1.855072
C 1.234768 -3.509622 1.468405
C 4.015774 1.961452 -2.037634
C 2.173041 -3.505981 -0.786337
C 5.097429 1.110778 -0.020205
C 0.761005 2.247489 3.313487
C 1.760213 -4.218083 0.363931
C 5.180592 1.793368 -1.258159
H -3.029996 -1.225296 0.507386
H -1.841696 0.813267 1.426284
H -3.504830 0.575307 2.016665
H -3.175873 2.985039 1.486399
H -2.641775 2.598287 -0.160317
H -4.488227 1.471332 -1.836094
H -6.092523 1.132683 -1.134692
H -5.055212 3.256411 -0.233863
H -5.447959 2.064038 1.040007
H -2.168377 0.854035 -1.625337
H -2.397680 -0.922343 -1.896940
H -4.481641 -2.186122 -0.909904
H -4.838509 -1.144070 -2.314997
H -7.187148 -0.747005 -1.400698
H -6.790657 -1.770371 0.010270
H -6.847248 -2.481217 -1.638827
H 0.705981 -1.548598 2.272800
H 1.876094 1.621285 -2.192640
H 2.400802 -1.554320 -1.715933
H 3.794584 0.059463 1.373638
H 2.210441 2.425467 1.680312
H 0.498735 2.593319 1.163724
H 0.915174 -4.052831 2.365289
H 4.069065 2.490673 -2.995750
H 2.587152 -4.044188 -1.646556
H 5.995421 0.971685 0.592207
H 0.808422 3.318237 3.584400
H 1.430067 1.687019 3.989455
H -0.272221 1.892583 3.474456
H 1.851624 -5.309726 0.399598
H 6.141488 2.186949 -1.608379


