%chk=000244730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244730

0 1
S 0.091626 2.008745 0.280350
S -1.794126 1.776552 -0.514397
O 4.125009 -0.811819 -1.242910
O 2.062511 2.536828 1.502128
O 3.785983 3.385797 0.335124
O -5.768094 0.806133 -0.070526
O -4.078187 1.842936 -1.131395
N 2.681526 0.123560 0.247279
N -4.123452 -1.404735 0.213179
C 2.526128 -3.240521 0.099777
C 1.050027 -2.899745 0.339350
C 3.480089 -2.174708 0.652151
C 0.137846 -4.043116 -0.128448
C 2.592064 1.382322 -0.511348
C 3.477581 -0.937357 -0.219462
C 1.205440 1.611990 -1.107695
C -1.336286 -3.735162 0.120881
C 2.934549 2.542881 0.435112
C -3.571715 -0.030711 0.383775
C -2.164693 0.014630 -0.221213
C -4.442213 0.966039 -0.381540
H 2.713581 -3.381900 -0.985573
H 2.769012 -4.214039 0.572307
H 0.783805 -1.967060 -0.194643
H 0.875276 -2.697303 1.413147
H 4.519101 -2.576730 0.658888
H 3.247221 -1.948908 1.710426
H 0.300623 -4.236811 -1.207628
H 0.414515 -4.982127 0.390792
H 3.369526 1.367004 -1.341419
H 2.044817 0.026198 1.037375
H 1.213193 2.444828 -1.838502
H 0.857953 0.717777 -1.660248
H -1.534805 -3.534499 1.178449
H -1.969646 -4.579811 -0.177334
H -1.674268 -2.866630 -0.458225
H -3.545272 0.311934 1.457294
H -2.130129 -0.531474 -1.188177
H -1.424320 -0.466615 0.441073
H -3.703760 -2.042305 0.884501
H -5.132593 -1.414009 0.363905
H 2.186456 3.315575 2.114924
H -6.359598 1.445867 -0.555303


%chk=000244730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244730

0 1
S -0.018206 1.648864 0.380020
S -1.799154 2.398244 -0.815095
O 3.041472 -1.097898 -1.300403
O 3.307684 2.596685 1.753033
O 3.100230 3.929732 -0.140971
O -5.553486 0.360120 0.993066
O -5.068798 1.977248 -0.600944
N 2.854856 0.327107 0.514305
N -3.785704 -1.249355 -0.443922
C 2.439994 -3.350267 0.514995
C 0.906042 -3.168766 0.482051
C 3.202652 -2.079341 0.957576
C 0.161984 -4.466093 0.092657
C 2.710680 1.508040 -0.344030
C 3.024422 -0.930989 -0.039868
C 1.305097 1.622848 -0.993727
C -1.360540 -4.264247 -0.062861
C 3.053877 2.804222 0.390068
C -3.434017 0.151724 -0.135408
C -2.584734 0.736803 -1.277161
C -4.732247 0.949991 0.018570
H 2.793909 -3.632271 -0.494750
H 2.703807 -4.180787 1.199709
H 0.652032 -2.370366 -0.244319
H 0.545591 -2.822171 1.473671
H 4.286388 -2.305254 1.013403
H 2.882379 -1.767380 1.971144
H 0.579750 -4.852871 -0.858759
H 0.357270 -5.244473 0.858238
H 3.418551 1.408074 -1.192577
H 2.874050 0.469884 1.525818
H 1.222082 2.563572 -1.558801
H 1.135571 0.754004 -1.646079
H -1.805707 -3.863454 0.868294
H -1.874394 -5.212883 -0.302891
H -1.573278 -3.554534 -0.886548
H -2.870195 0.273647 0.822154
H -3.203420 0.940946 -2.166664
H -1.769905 0.047461 -1.548039
H -2.978801 -1.879666 -0.480615
H -4.553043 -1.617699 0.126413
H 3.493278 3.467352 2.196796
H -6.395717 0.883698 1.078652


