%chk=000184150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184150

0 1
S -6.323497 -0.533910 1.397877
O -2.386207 1.157077 -1.983960
O -7.046222 -0.762035 2.625495
O -6.367822 0.750166 0.740979
N -0.122197 -0.247106 -1.476452
N 3.548200 1.110925 0.265366
N 5.470352 -0.743500 1.132609
N -4.693926 -0.915233 1.824996
C 1.102646 0.244065 -0.861751
C 2.074965 -0.689953 -0.484681
C 3.303036 -0.199186 0.103872
C 1.345404 1.638460 -0.691208
C 2.600620 2.025691 -0.127651
C 4.317705 -1.187498 0.535763
C 1.900924 -2.117392 -0.689019
C 4.072763 -2.570910 0.325080
C -1.250088 -0.325182 -0.576263
C 2.843810 -3.007319 -0.308198
C 0.407730 2.667120 -1.042344
C 2.903044 3.423996 0.053781
C -2.473717 0.340158 -0.876628
C -1.205481 -1.128533 0.568564
C 5.055727 -3.498867 0.744327
C -3.547833 -0.671144 1.027582
C 0.719195 3.985456 -0.855253
C 1.985025 4.369422 -0.303664
C -3.618382 0.166331 -0.104390
C -2.335319 -1.300898 1.370668
C 6.217007 -3.043573 1.344134
C 6.384867 -1.647657 1.521057
C -6.717912 -1.765860 0.233550
C -3.559634 1.922219 -2.360990
H -0.356733 0.306168 -2.318675
H 0.977258 -2.439641 -1.181603
H 2.712588 -4.076942 -0.469367
H -0.564242 2.378012 -1.452614
H 3.875000 3.680903 0.481171
H -0.271171 -1.626710 0.840657
H 4.889116 -4.564885 0.590772
H 0.011481 4.770570 -1.117535
H -4.529800 0.724655 -0.333375
H 2.193788 5.431348 -0.174402
H -2.267326 -1.926447 2.256514
H 6.990338 -3.731692 1.676397
H -4.503686 -1.272310 2.772481
H 7.290299 -1.246667 1.993466
H -5.896105 -2.004730 -0.460378
H -7.004273 -2.724749 0.693669
H -7.565670 -1.486812 -0.412483
H -3.860409 2.585894 -1.542995
H -4.370339 1.247738 -2.651425
H -3.187897 2.491962 -3.221820


%chk=000184150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184150

0 1
S -5.983907 -2.183831 0.746699
O -2.687867 1.481195 -2.083583
O -7.285608 -2.653558 1.607831
O -6.117679 -1.762269 -0.826320
N -0.364907 1.144610 -0.913358
N 3.808342 1.028108 0.101590
N 5.056868 -1.329528 0.878867
N -5.103708 -0.494079 1.698900
C 1.005218 1.081444 -0.548951
C 1.660695 -0.153999 -0.267976
C 3.074048 -0.112556 0.098811
C 1.763536 2.299541 -0.536600
C 3.182511 2.206314 -0.232030
C 3.749353 -1.377858 0.451402
C 0.999055 -1.434054 -0.409789
C 3.025889 -2.618293 0.330714
C -1.474256 0.671828 -0.205532
C 1.654538 -2.613827 -0.129089
C 1.193333 3.592631 -0.791000
C 3.981006 3.399409 -0.252166
C -2.760149 0.859495 -0.825622
C -1.424651 0.076022 1.083920
C 3.707486 -3.827454 0.660881
C -3.878320 -0.149697 1.103581
C 1.997183 4.733268 -0.796217
C 3.404645 4.635881 -0.537280
C -3.938387 0.470931 -0.185924
C -2.602379 -0.359866 1.713146
C 5.038598 -3.772477 1.094080
C 5.666961 -2.497329 1.189262
C -4.714091 -3.647830 0.776579
C -3.950748 1.702602 -2.802201
H -0.612605 1.716364 -1.728204
H -0.033453 -1.456330 -0.768414
H 1.142477 -3.574757 -0.260159
H 0.114808 3.689827 -0.957220
H 5.045835 3.287435 -0.027583
H -0.459755 -0.043839 1.583680
H 3.181386 -4.785061 0.572159
H 1.550146 5.714988 -0.987065
H -4.923149 0.616118 -0.634861
H 4.020128 5.541809 -0.549327
H -2.545068 -0.833124 2.701115
H 5.593050 -4.678693 1.356867
H -4.992545 -0.858208 2.669089
H 6.706067 -2.416691 1.530333
H -3.763860 -3.245767 0.398465
H -4.654391 -3.992458 1.817993
H -5.140882 -4.407592 0.107130
H -4.605166 2.395389 -2.240949
H -4.476732 0.745093 -2.970762
H -3.661896 2.151719 -3.763205


