%chk=000293085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293085

0 1
S 2.330807 -2.396249 0.005238
O 3.303604 -3.175849 0.734992
O 1.791453 -2.842309 -1.252374
O 5.467517 3.469786 -0.012359
O 3.892043 3.915255 -1.429023
N 1.062725 -2.173161 1.143112
N 4.479922 3.173958 -0.661616
C -0.232440 -1.654208 0.863471
C 2.947412 -0.776197 -0.197732
C -2.765341 -0.538141 0.393399
C -0.730775 -1.574415 -0.449550
C -1.014679 -1.195018 1.946000
C -4.094389 0.057567 0.143474
C -1.988792 -1.015728 -0.673426
C -2.269112 -0.641409 1.703792
C 4.088344 -0.390382 0.511304
C 2.309671 0.112966 -1.065116
C 4.598115 0.903114 0.363907
C 2.806502 1.411476 -1.222868
C 3.945348 1.789519 -0.501970
C -4.379034 1.358763 0.588334
C -5.078380 -0.674835 -0.540209
C -5.636006 1.919549 0.348549
C -6.333837 -0.108502 -0.774511
C -6.614889 1.188219 -0.331978
H 1.199467 -2.513360 2.105604
H -0.174100 -1.988837 -1.296305
H -0.644750 -1.269083 2.965634
H -2.374159 -0.953362 -1.692754
H -2.874991 -0.288392 2.539788
H 4.594554 -1.100971 1.179068
H 1.422861 -0.196041 -1.632505
H 5.491864 1.224641 0.911054
H 2.318533 2.124592 -1.897583
H -3.617242 1.931849 1.113470
H -4.863838 -1.686745 -0.880016
H -5.853087 2.929734 0.692204
H -7.095747 -0.679817 -1.302686
H -7.593253 1.627123 -0.516709


%chk=000293085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293085

0 1
S 2.465265 -2.599818 -0.167340
O 3.726787 -3.355829 0.522969
O 1.873013 -2.980185 -1.629590
O 4.740210 3.812639 0.473890
O 3.126236 4.140779 -1.105394
N 0.960585 -2.867512 1.102359
N 3.804618 3.389372 -0.306509
C -0.195820 -2.087432 0.852374
C 2.886027 -0.744464 -0.224214
C -2.616767 -0.643123 0.340025
C -0.993376 -2.397523 -0.287443
C -0.611742 -1.036471 1.721764
C -3.879901 0.100096 0.078625
C -2.171594 -1.675931 -0.537470
C -1.813370 -0.349402 1.479613
C 3.906344 -0.277257 0.623390
C 2.158315 0.075937 -1.104576
C 4.216563 1.097495 0.590640
C 2.464370 1.452435 -1.130641
C 3.482877 1.934808 -0.279483
C -4.025795 1.459265 0.476252
C -4.976361 -0.527886 -0.576948
C -5.221994 2.163901 0.227721
C -6.173412 0.175724 -0.824783
C -6.303142 1.525909 -0.424018
H 1.407782 -2.689159 2.022480
H -0.670176 -3.201505 -0.954860
H -0.005855 -0.786474 2.602245
H -2.753627 -1.908283 -1.435606
H -2.143907 0.413175 2.192761
H 4.458162 -0.975888 1.260633
H 1.397770 -0.353644 -1.763454
H 5.005991 1.525616 1.213394
H 1.938297 2.145525 -1.791756
H -3.187077 1.979188 0.952972
H -4.905105 -1.582975 -0.863980
H -5.307919 3.212469 0.533410
H -7.007905 -0.331280 -1.321585
H -7.232465 2.072810 -0.616763


