%chk=000252547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252547

0 1
S -4.397794 0.377458 1.116027
S 3.147603 -1.454560 0.125280
O -4.906726 0.219033 2.468932
O -4.497566 -0.740120 0.188617
O 2.532215 -0.348000 0.842028
O 2.603385 -1.864227 -1.161874
N -2.747678 0.809883 1.348406
N 3.073428 -2.828868 1.167465
N -6.722969 5.144225 -1.490940
N 8.955203 -0.578856 -0.486878
C -0.561341 -1.459998 1.042087
C -0.063002 -2.855361 0.642912
C -1.435140 -0.852172 -0.060560
C 0.710342 -3.556587 1.765553
C -1.802247 0.613406 0.220965
C 2.001284 -2.841046 2.196755
C -5.080317 1.761229 0.366620
C 4.830433 -1.191348 -0.049968
C -5.525165 1.689720 -0.961699
C 5.457704 -1.458933 -1.276601
C -5.209608 2.961864 1.078521
C 5.586537 -0.694105 1.021554
C -6.092288 2.794271 -1.582913
C 6.817869 -1.241069 -1.443365
C -5.773038 4.084279 0.484270
C 6.949486 -0.466022 0.885992
C -6.215430 4.008042 -0.860110
C 7.579398 -0.744907 -0.353749
H -1.127913 -1.518405 1.989292
H 0.308356 -0.792827 1.238938
H -0.926143 -3.488365 0.353342
H 0.563532 -2.781252 -0.271968
H -2.358718 -1.457308 -0.200158
H -0.899145 -0.904549 -1.030110
H 0.941424 -4.593330 1.451177
H 0.053698 -3.659310 2.653758
H -2.236075 1.074278 -0.694535
H -0.879008 1.197866 0.451466
H 1.773847 -1.793540 2.512457
H 2.420786 -3.351839 3.095468
H -2.329881 0.522488 2.244139
H 3.154681 -3.746461 0.710168
H -5.429057 0.745030 -1.514390
H 4.861606 -1.839839 -2.117273
H -4.869199 3.018223 2.118777
H 5.097755 -0.475493 1.977818
H -6.429696 2.729316 -2.612572
H 7.293510 -1.454606 -2.395633
H -5.864233 5.010482 1.042817
H 7.526071 -0.084949 1.723141
H -6.991191 5.940001 -0.937267
H -7.212582 5.048755 -2.364398
H 9.469298 -0.071144 0.212341
H 9.377999 -0.606355 -1.398726


%chk=000252547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252547

0 1
S -4.590726 0.203951 0.989595
S 3.130322 -1.249820 0.396594
O -5.317479 -0.035028 2.429850
O -4.642133 -0.949524 -0.173994
O 2.687432 -0.135940 1.505414
O 2.348692 -1.340942 -1.042214
N -2.855185 0.700242 1.477435
N 3.108778 -2.888569 1.346378
N -6.691743 5.265463 -1.593977
N 9.006438 -0.586801 -0.900416
C -0.602457 -1.527438 1.236608
C -0.063914 -2.919238 0.828863
C -1.323059 -0.831315 0.059817
C 0.719256 -3.652900 1.943157
C -1.830580 0.589670 0.398835
C 2.040541 -2.977774 2.384394
C -5.200365 1.775665 0.192865
C 4.942893 -1.070050 0.013092
C -5.486220 1.759252 -1.183614
C 5.355762 -1.221573 -1.322701
C -5.405559 2.912049 0.997453
C 5.836040 -0.756221 1.054417
C -5.985191 2.929784 -1.781929
C 6.718253 -1.058914 -1.627689
C -5.903723 4.079847 0.396076
C 7.196411 -0.594114 0.744840
C -6.198917 4.107307 -1.002696
C 7.659538 -0.746749 -0.599609
H -1.293104 -1.655629 2.099003
H 0.230032 -0.880463 1.578115
H -0.918023 -3.556477 0.523975
H 0.572084 -2.801791 -0.072088
H -2.172709 -1.445592 -0.293256
H -0.604964 -0.740929 -0.779680
H 0.942607 -4.689963 1.614810
H 0.077212 -3.746028 2.843429
H -2.246783 1.079166 -0.502087
H -0.985497 1.220680 0.742243
H 1.868450 -1.949570 2.757187
H 2.491771 -3.544821 3.222622
H -2.651951 0.102231 2.302205
H 3.023871 -3.617555 0.610258
H -5.330767 0.840444 -1.758779
H 4.617407 -1.441474 -2.100643
H -5.183176 2.880088 2.068408
H 5.473769 -0.631500 2.079392
H -6.215124 2.937602 -2.853710
H 7.060034 -1.169062 -2.663210
H -6.069012 4.976877 1.004049
H 7.908608 -0.347945 1.540690
H -6.855238 6.103691 -1.043829
H -6.912545 5.292069 -2.585250
H 9.679762 -0.354638 -0.175819
H 9.344479 -0.685632 -1.853486


