%chk=000231022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231022

0 1
S -0.797130 0.769714 0.162162
N 2.408969 0.102568 1.018151
N 4.255754 1.300778 0.353780
N 3.031681 2.989771 -1.024263
N 0.611855 2.668276 -1.068879
C 1.634313 -0.993321 1.626771
C 1.933412 1.129313 0.195075
C 1.398543 -2.140390 0.669320
C 3.118217 1.885026 -0.213812
C 0.685533 1.588827 -0.277440
C 3.811426 0.243093 1.067093
C 2.466538 -2.720757 -0.029797
C 0.101717 -2.648365 0.509624
C -2.116814 1.757971 -0.619466
C -3.369316 1.034867 -0.256229
C 2.235567 -3.801321 -0.885222
C -0.122478 -3.732462 -0.344150
C 1.789141 3.324709 -1.412984
C 0.942222 -4.310100 -1.042418
C -4.073633 1.382953 0.907902
C -3.851618 0.002558 -1.077517
C -5.249301 0.706246 1.242353
C -5.027896 -0.669838 -0.737055
C -5.728560 -0.319881 0.421756
H 0.667071 -0.584104 2.014113
H 2.184685 -1.367546 2.525531
H 4.447999 -0.423758 1.637975
H 3.476412 -2.329204 0.079941
H -0.737621 -2.199655 1.040493
H -1.949355 1.825436 -1.714778
H -2.086988 2.803405 -0.250045
H 3.066211 -4.246132 -1.432181
H -1.131626 -4.123560 -0.467716
H 1.670120 4.203867 -2.067145
H 0.764906 -5.152102 -1.709569
H -3.704926 2.180472 1.551607
H -3.309007 -0.275516 -1.980376
H -5.793990 0.980477 2.144748
H -5.400325 -1.467901 -1.377755
H -6.645806 -0.844016 0.683604


%chk=000231022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231022

0 1
S -0.775272 0.632342 0.360698
N 2.575802 0.086000 1.017187
N 4.350206 1.374175 0.306247
N 3.025046 3.010762 -0.998608
N 0.605778 2.619372 -0.952355
C 1.895993 -1.055976 1.659763
C 2.028223 1.106808 0.226942
C 1.550785 -2.203354 0.708500
C 3.152639 1.901678 -0.207312
C 0.729036 1.518808 -0.165328
C 3.960433 0.305193 1.019005
C 2.384905 -2.536108 -0.386572
C 0.396260 -2.983286 0.960883
C -2.122766 1.721724 -0.475668
C -3.469458 1.077002 -0.262773
C 2.070835 -3.639162 -1.211778
C 0.085068 -4.089956 0.140538
C 1.742791 3.298900 -1.330592
C 0.923096 -4.422045 -0.948660
C -4.291879 1.465028 0.826633
C -3.939265 0.075785 -1.153001
C -5.558707 0.870178 1.020051
C -5.204979 -0.520185 -0.961642
C -6.018823 -0.124460 0.126102
H 0.983746 -0.692297 2.164788
H 2.579762 -1.417428 2.452242
H 4.635795 -0.351341 1.566087
H 3.272601 -1.931346 -0.605936
H -0.268825 -2.718193 1.791942
H -1.828600 1.791017 -1.533161
H -2.038639 2.718580 -0.018634
H 2.719503 -3.884824 -2.059897
H -0.813411 -4.683042 0.343504
H 1.580801 4.172781 -1.967821
H 0.680635 -5.276390 -1.590211
H -3.938616 2.237069 1.520853
H -3.308946 -0.234273 -1.995052
H -6.185714 1.183219 1.862313
H -5.557498 -1.287978 -1.659349
H -7.002441 -0.584377 0.273277


