%chk=000244876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244876

0 1
S 4.384985 -1.456633 0.115038
O -3.265977 -1.590509 -0.797683
O -1.250760 -1.784474 -1.738300
O 0.109950 1.955977 1.189224
N -0.231239 0.362574 -0.426322
N 2.210631 3.143007 -0.215872
C -1.522888 -0.152058 0.098728
C -2.602964 0.945071 0.235047
C -1.398857 -0.782729 1.509818
C -3.560756 0.426662 1.319707
C -2.758317 -0.558824 2.195031
C -1.951768 -1.242175 -0.909384
C 0.508092 1.369091 0.198116
C 1.852803 1.729238 -0.484931
C 2.975486 0.818632 0.058013
C 2.899176 -0.593859 -0.499956
C 4.183375 -3.105453 -0.592780
H -2.128570 1.894978 0.563469
H -3.116556 1.154769 -0.714731
H -1.114821 -1.844985 1.477414
H -0.598829 -0.261148 2.076648
H -3.970109 1.256803 1.917912
H -4.421562 -0.089556 0.854658
H -3.305319 -1.510371 2.308783
H -2.614986 -0.155171 3.212510
H 0.162372 -0.143057 -1.229327
H 1.770826 1.609546 -1.597800
H 3.952479 1.289617 -0.209033
H 2.951670 0.807679 1.168633
H -3.520265 -2.307845 -1.446628
H 2.893418 -0.599733 -1.605194
H 1.994471 -1.128527 -0.157888
H 1.492338 3.771029 -0.569022
H 2.282438 3.313979 0.787528
H 5.039536 -3.713478 -0.268469
H 3.268416 -3.594806 -0.243247
H 4.178483 -3.084762 -1.687611


%chk=000244876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244876

0 1
S 4.650971 -1.356703 0.240265
O -3.412562 -1.449578 -0.867656
O -1.674898 -0.977745 -2.317240
O 0.427744 1.591085 1.369891
N -0.317506 0.465264 -0.544214
N 2.064632 3.149656 -0.504629
C -1.584780 -0.078091 -0.009788
C -2.565066 1.031726 0.512445
C -1.395208 -0.991875 1.253157
C -3.487899 0.343528 1.552931
C -2.740968 -0.949938 2.025359
C -2.193403 -0.859134 -1.178758
C 0.584054 1.240065 0.154240
C 1.838189 1.696476 -0.641954
C 3.093355 0.942960 -0.126550
C 3.011784 -0.581218 -0.311055
C 4.223050 -3.163274 -0.066678
H -1.929921 1.789154 1.001920
H -3.118523 1.517885 -0.309821
H -1.078172 -2.014391 0.982696
H -0.593315 -0.523272 1.848400
H -3.693756 1.028068 2.394621
H -4.455513 0.072677 1.098651
H -3.350339 -1.839663 1.795433
H -2.557578 -0.942960 3.114299
H -0.122989 0.226319 -1.523969
H 1.705231 1.471692 -1.719511
H 3.961596 1.351447 -0.674514
H 3.229742 1.181925 0.946241
H -3.751482 -1.937976 -1.666857
H 2.849950 -0.849499 -1.371834
H 2.205102 -1.022907 0.300823
H 1.360364 3.716574 -0.992920
H 2.120031 3.418923 0.487256
H 5.110303 -3.750827 0.216787
H 3.366732 -3.467333 0.557204
H 3.997449 -3.330540 -1.132569


