%chk=000217973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217973

0 1
S 2.374949 -0.084244 0.671370
O 0.149747 -3.165804 0.028509
O 5.187254 -2.535762 -1.405124
O 4.960627 -2.534538 0.824714
N 0.085412 1.485842 0.610950
N -0.099736 -0.886217 0.314050
C 0.800571 2.763958 0.816963
C 1.594863 3.192296 -0.437767
C -0.257340 3.826008 1.195752
C 0.677296 3.571979 -1.606312
C -1.153841 4.205372 0.010673
C -0.323837 4.660591 -1.196633
C 0.612144 0.335808 0.523396
C 2.140031 -1.880036 0.516664
C 0.653017 -2.091710 0.260291
C 2.976473 -2.422855 -0.627058
C -1.545582 -0.896312 0.140232
C -2.100664 -1.595767 -0.943761
C -2.366100 -0.223982 1.059374
C 4.429418 -2.493782 -0.257551
C -3.486001 -1.616995 -1.103523
C -3.749622 -0.249015 0.882047
C -4.320988 -0.944635 -0.195954
C -5.802800 -0.957098 -0.384254
H 1.518733 2.658762 1.677653
H 2.290415 2.392055 -0.752518
H 2.231577 4.057841 -0.167676
H 0.266742 4.722844 1.577177
H -0.883015 3.449089 2.028077
H 0.127018 2.673806 -1.952361
H 1.284209 3.914629 -2.464376
H -1.859827 5.000262 0.311579
H -1.771976 3.327812 -0.272237
H 0.212078 5.598202 -0.957343
H -0.991790 4.896709 -2.045729
H 2.426265 -2.372776 1.487401
H 2.625005 -3.451494 -0.905367
H 2.846512 -1.826685 -1.563002
H -1.459531 -2.134429 -1.641783
H -1.930385 0.324828 1.894711
H -3.919295 -2.162452 -1.940503
H -4.388487 0.276616 1.589954
H -6.345230 -0.882341 0.567807
H -6.122290 -0.108531 -1.007764
H -6.152976 -1.873019 -0.879131
H 6.163654 -2.599534 -1.219618


%chk=000217973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217973

0 1
S 2.583915 -0.025804 0.660374
O 0.230255 -3.221478 0.228667
O 5.330700 -3.231087 -0.982576
O 4.971792 -2.587741 1.221165
N 0.220605 1.513829 0.304723
N 0.022805 -0.867101 0.263967
C 1.000831 2.767944 0.392925
C 1.192631 3.356462 -1.034336
C 0.238148 3.773567 1.294353
C -0.148567 3.798144 -1.665529
C -1.105202 4.208781 0.663313
C -0.895476 4.800264 -0.751860
C 0.759052 0.354911 0.380640
C 2.229441 -1.883814 0.647189
C 0.734644 -2.075261 0.358765
C 3.082607 -2.649360 -0.376279
C -1.410035 -0.857420 0.019698
C -1.936077 -1.585196 -1.070028
C -2.272721 -0.141967 0.878725
C 4.523446 -2.794759 0.072795
C -3.328267 -1.591167 -1.296637
C -3.661493 -0.152620 0.636108
C -4.214663 -0.872401 -0.454783
C -5.708605 -0.854214 -0.725897
H 2.006058 2.576275 0.835844
H 1.701310 2.611585 -1.675659
H 1.868930 4.231360 -0.947203
H 0.888008 4.660959 1.437664
H 0.073199 3.323264 2.291581
H -0.784124 2.905220 -1.820693
H 0.038226 4.248265 -2.659737
H -1.605694 4.946747 1.319754
H -1.767462 3.324640 0.591666
H -0.307050 5.739167 -0.676163
H -1.871428 5.068585 -1.200648
H 2.445500 -2.261162 1.661812
H 2.655280 -3.666496 -0.490669
H 3.053504 -2.173731 -1.371591
H -1.268390 -2.154892 -1.722071
H -1.860034 0.421568 1.719556
H -3.730607 -2.164112 -2.140361
H -4.326470 0.403260 1.307735
H -6.288503 -0.739071 0.206620
H -5.980914 -0.009518 -1.388468
H -6.041619 -1.781714 -1.223667
H 6.265210 -3.347414 -0.658784


