%chk=000232875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232875

0 1
S 2.034980 -1.152095 2.310137
O 1.535430 3.142919 -0.246756
O 3.930255 -1.150125 -2.312707
O 2.773714 3.415951 1.630086
O -1.174320 0.526673 1.792583
O 1.821705 -0.515234 -1.922771
N 3.528338 0.212699 0.572097
N 0.572028 0.812435 0.358523
C 2.654071 0.473311 1.732207
C 1.447075 1.381461 1.382289
C 3.336733 -1.139244 -0.028625
C 2.294868 -1.977118 0.713001
C -1.425363 -0.311551 -0.503969
C 2.006933 2.751946 0.969639
C -0.717846 0.375707 0.672023
C 2.883583 -0.875265 -1.470944
C -2.879813 0.086742 -0.647714
C -1.295971 -1.811715 -0.330099
C -3.697876 0.348374 0.459144
C -0.713021 -2.575969 -1.351780
C -3.419302 0.169199 -1.942638
C -1.746812 -2.439296 0.840699
C 1.944442 4.459858 -0.750511
C -5.038976 0.695024 0.272843
C -0.595181 -3.961134 -1.205369
C -4.760902 0.513358 -2.122639
C -1.623053 -3.823005 0.982072
C -5.574185 0.777926 -1.015758
C -1.049672 -4.586715 -0.040571
C 1.146987 5.541251 -0.055049
H 3.226095 0.962002 2.567710
H 0.837781 1.547337 2.331263
H 4.319769 -1.689368 -0.072601
H 4.517065 0.361425 0.811169
H 2.635428 -3.013310 0.893111
H 1.325913 -2.047381 0.169569
H 0.968892 0.726443 -0.585460
H -0.899482 -0.014674 -1.458395
H -3.284057 0.294728 1.472262
H -0.351205 -2.092286 -2.259117
H -2.796866 -0.039966 -2.810334
H -2.186892 -1.838420 1.641194
H 3.721753 -0.975971 -3.271305
H 1.694970 4.349810 -1.821797
H 3.033521 4.568050 -0.604566
H -5.667040 0.900772 1.138310
H -0.153621 -4.553869 -2.004384
H -5.173762 0.574827 -3.127821
H -1.976653 -4.307320 1.891396
H -6.618504 1.046665 -1.157673
H -0.961712 -5.665532 0.069499
H 1.298459 6.519511 -0.526052
H 1.437938 5.634900 1.002405
H 0.070259 5.323762 -0.074225


%chk=000232875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232875

0 1
S 2.656031 -1.060395 2.472709
O 1.120223 3.296573 -0.111103
O 3.645956 -2.237779 -2.296164
O 2.878549 3.451897 1.411219
O -1.106248 0.654361 1.682943
O 2.046648 -0.583418 -2.038559
N 3.677720 0.242153 0.319119
N 0.759626 0.664915 0.293033
C 2.936744 0.589398 1.533970
C 1.604699 1.342236 1.259348
C 3.572327 -1.154885 -0.141815
C 2.640915 -1.973677 0.823440
C -1.280331 -0.408247 -0.555014
C 1.951289 2.797140 0.873269
C -0.558592 0.365484 0.574010
C 2.993875 -1.251450 -1.560890
C -2.689879 0.139216 -0.815120
C -1.278852 -1.919351 -0.248141
C -3.707839 0.078562 0.170380
C -1.161717 -2.835447 -1.325647
C -2.988980 0.717804 -2.073716
C -1.414680 -2.428786 1.069071
C 1.316879 4.734221 -0.492252
C -4.996227 0.586523 -0.103393
C -1.187206 -4.229265 -1.097758
C -4.280073 1.223024 -2.350723
C -1.436145 -3.823606 1.297712
C -5.289731 1.157837 -1.364174
C -1.325318 -4.729752 0.218096
C 0.513111 5.645596 0.437896
H 3.552857 1.231697 2.185084
H 1.022227 1.398202 2.202516
H 4.571359 -1.626266 -0.167755
H 4.636641 0.596768 0.314168
H 3.035868 -2.987086 0.987923
H 1.605748 -2.031420 0.455139
H 1.155081 0.457089 -0.635970
H -0.699274 -0.267516 -1.485974
H -3.484213 -0.347697 1.152186
H -1.061536 -2.451306 -2.348600
H -2.206320 0.776378 -2.841062
H -1.489880 -1.732452 1.911306
H 3.227794 -2.327826 -3.195805
H 0.952369 4.773237 -1.530835
H 2.396722 4.961604 -0.452834
H -5.773142 0.537658 0.668209
H -1.102753 -4.922471 -1.942781
H -4.495216 1.665542 -3.330194
H -1.540112 -4.201406 2.321275
H -6.292339 1.547774 -1.574005
H -1.346383 -5.810505 0.398360
H 0.585626 6.691825 0.086915
H 0.904306 5.600245 1.468018
H -0.551304 5.355555 0.446569


