%chk=000178854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178854

0 1
 O   -2.245600       2.552500     -0.3588000    
 O   -2.995800      -3.164400     -5.0799999E-02
 O   -3.769700       1.240400      0.7417000    
 O   -4.242700      -1.245600      8.7600000E-02
 N   0.1992000     -0.7987000      2.2900000E-02
 N  -0.7341000      -1.765100     -1.4900000E-02
 C  -0.3132000      0.4652000      0.1089000    
 C   -1.680600      0.3090000      0.1278000    
 C    1.550100      -1.147000     -2.5699999E-02
 C   0.4893000       1.662700      0.1641000    
 C   -1.880300      -1.082300      4.9500000E-02
 C    4.236900      -1.840300     -0.1217000    
 C    2.187500      -1.246300      -1.255100    
 C    2.236900      -1.389500       1.156200    
 C    3.537400      -1.594600      -1.303300    
 C    3.586800      -1.737700       1.107900    
 C    5.680000      -2.213100     -0.1733000    
 C   -2.651300       1.361000      0.2103000    
 C   0.8523000       2.314800      -1.014400    
 C   0.9019000       2.168900       1.396600    
 C   -3.128200      -1.793000      3.2699998E-02
 C    1.627600       3.473100     -0.9602000    
 C    1.677000       3.327300       1.450800    
 C    6.597100     -0.9940000     -0.1200000    
 C    2.039900       3.979300      0.2725000    
 C   -3.168200       3.646800     -0.3118000    
 C   -4.202400      -3.935500     -7.1699999E-02
 C   -2.540600       4.850200     -0.9823000    
 C   -3.847500      -5.404200     -0.1655000    
 H    1.653300      -1.056700      -2.182600    
 H    1.741500      -1.312400       2.120600    
 H    4.033100      -1.669400      -2.267500    
 H    4.121000      -1.924800       2.035700    
 H    5.922500      -2.887300      0.6577000    
 H    5.886600      -2.784200      -1.087100    
 H   0.5384000       1.933600      -1.983300    
 H   0.6272000       1.672700       2.324500    
 H    1.909700       3.981200      -1.877700    
 H    1.998100       3.721600       2.410500    
 H    6.410600     -0.3210000     -0.9637000    
 H    7.645100      -1.307700     -0.1601000    
 H    6.446800     -0.4255000      0.8040000    
 H    2.643300       4.881300      0.3146000    
 H   -3.399300       3.882000      0.7329000    
 H   -4.089200       3.367900     -0.8352000    
 H   -4.805500      -3.643000     -0.9382000    
 H   -4.769100      -3.748200      0.8469000    
 H   -2.282900       4.621300      -2.021700    
 H   -1.609000       5.128900     -0.4787000    
 H   -3.220800       5.706200     -0.9665000    
 H   -3.227600      -5.705800      0.6853000    
 H   -3.263300      -5.602300      -1.070200    
 H   -4.748300      -6.023800     -0.1838000    


%chk=000178854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178854

0 1
O -3.201705 1.920946 -0.214269
O -2.980794 -2.214043 -0.819239
O -2.106948 2.772171 1.659002
O -3.915478 -0.780675 0.767906
N 0.596283 -0.431608 0.190315
N -0.462782 -1.306559 -0.047287
C 0.167260 0.863924 0.516302
C -1.245963 0.804481 0.498743
C 1.928832 -0.979625 0.159791
C 1.080794 2.021360 0.641405
C -1.580006 -0.543639 0.133916
C 4.519915 -2.147641 0.101279
C 2.234219 -1.965104 -0.806432
C 2.897173 -0.589163 1.113642
C 3.521576 -2.539034 -0.828012
C 4.181264 -1.168519 1.071175
C 5.922821 -2.733058 0.040227
C -2.186670 1.921763 0.735302
C 2.097284 2.231436 -0.332902
C 0.942907 2.950664 1.706922
C -2.933070 -1.153984 0.080929
C 2.964350 3.337945 -0.234381
C 1.817420 4.055356 1.802384
C 6.890160 -1.857941 -0.802858
C 2.831698 4.252339 0.837798
C -4.331768 2.867712 0.032503
C -4.283135 -2.946413 -0.883353
C -5.394592 2.555883 -1.015455
C -4.101135 -4.066884 -1.901578
H 1.458628 -2.280345 -1.509745
H 2.648405 0.145861 1.884032
H 3.753680 -3.306449 -1.576148
H 4.928025 -0.866039 1.815081
H 6.332205 -2.835518 1.063490
H 5.886718 -3.750378 -0.393489
H 2.197990 1.536121 -1.173069
H 0.143744 2.812141 2.440046
H 3.737768 3.490182 -0.995084
H 1.700279 4.763755 2.629578
H 6.528949 -1.760282 -1.842616
H 7.901362 -2.303561 -0.829103
H 6.972820 -0.840769 -0.378789
H 3.506932 5.111851 0.914929
H -3.943010 3.899371 -0.045260
H -4.693152 2.707136 1.063924
H -5.071227 -2.228597 -1.175597
H -4.519969 -3.324040 0.128092
H -5.737882 1.512250 -0.915888
H -4.999213 2.700934 -2.035534
H -6.263084 3.226121 -0.879535
H -3.291574 -4.749449 -1.592179
H -3.850025 -3.658293 -2.895219
H -5.036378 -4.649595 -1.989295


