%chk=000210638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210638

0 1
S 2.078972 -2.821546 0.069179
N -0.402794 -1.703003 0.042638
N 1.576942 -0.261666 0.010618
C -1.351972 -0.550903 0.015769
C -0.604552 0.762852 -0.014018
C -2.282220 -0.709976 -1.218856
C -2.283444 -0.653240 1.255456
C -3.691229 -0.302380 -0.762474
C -3.692084 -0.267355 0.779451
C 0.747646 0.889645 -0.016328
C -1.271374 2.109286 -0.045141
C 1.212759 2.321259 -0.048902
C -0.107750 3.135179 -0.068214
C 0.865534 -1.525380 0.039126
C 2.995170 -0.391562 0.013740
C 3.407949 -1.682482 0.043392
C 3.877393 0.800673 -0.013348
H -2.274143 -1.764203 -1.558584
H -1.929256 -0.109672 -2.070662
H -1.931437 -0.014340 2.079121
H -2.275537 -1.690728 1.643319
H -4.443586 -1.015511 -1.140044
H -3.966979 0.683487 -1.173142
H -3.968654 0.736028 1.144628
H -4.444595 -0.962937 1.188162
H -1.921444 2.210616 -0.932601
H -1.922071 2.251137 0.836299
H 1.824870 2.571451 0.835388
H 1.825725 2.530688 -0.943162
H -0.162417 3.769534 -0.967084
H -0.163218 3.810207 0.800475
H 4.419025 -2.046904 0.051967
H 3.717812 1.408015 -0.917946
H 4.940868 0.512805 -0.007184
H 3.718291 1.448023 0.863161


%chk=000210638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210638

0 1
S 2.158268 -2.834110 0.448526
N -0.368072 -1.706286 0.388338
N 1.573978 -0.255123 0.020149
C -1.348609 -0.594713 0.153550
C -0.634591 0.752796 0.149028
C -2.131618 -0.877272 -1.175762
C -2.492502 -0.690950 1.214319
C -3.522443 -0.211389 -1.009177
C -3.785424 -0.153563 0.536579
C 0.725133 0.889322 0.056150
C -1.289713 2.109929 0.359731
C 1.185490 2.334870 0.192703
C -0.150272 3.125147 0.039364
C 0.901283 -1.498342 0.272819
C 2.987643 -0.350376 -0.109666
C 3.459305 -1.621360 0.082195
C 3.860974 0.820720 -0.480143
H -2.229256 -1.977328 -1.253694
H -1.577682 -0.524113 -2.063583
H -2.239343 -0.162301 2.150526
H -2.593685 -1.763544 1.459247
H -4.306581 -0.780520 -1.539512
H -3.523267 0.807323 -1.439380
H -4.003404 0.882380 0.853827
H -4.660722 -0.764334 0.821677
H -2.171696 2.271224 -0.287084
H -1.645387 2.210821 1.406509
H 1.651273 2.500311 1.186211
H 1.921376 2.646607 -0.567613
H -0.249730 3.468281 -1.006319
H -0.182167 4.017742 0.687657
H 4.492907 -1.948590 0.008783
H 3.560881 1.264077 -1.447364
H 4.901854 0.471211 -0.577350
H 3.843997 1.618550 0.282959


