%chk=000243978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243978

0 1
S 1.266107 -1.571183 -0.550457
N -1.402333 -0.902579 -0.468901
N -0.718358 -3.155424 0.149813
C -0.586638 1.508481 0.037978
C 1.974476 0.041777 0.040340
C -1.751973 0.451852 0.062852
C 0.319729 1.551312 1.280703
C 0.248825 1.430831 -1.258548
C 1.370110 0.441132 1.389191
C 1.728893 1.093748 -1.043312
C -0.415688 -1.717121 0.244693
C 3.463309 -0.276290 0.162221
C -2.336021 0.283360 1.477107
C -2.876145 0.975647 -0.868645
H -1.105901 2.505375 0.030119
H -0.291278 1.567309 2.202992
H 0.846870 2.529866 1.267680
H 0.184200 2.403672 -1.784753
H -0.186195 0.697893 -1.967017
H 2.176393 0.789778 2.069251
H 0.943648 -0.438815 1.916818
H 2.169704 0.763027 -2.005752
H 2.280293 2.017138 -0.768006
H -1.227197 -0.872402 -1.481917
H -0.342063 -1.429598 1.331187
H 3.656616 -1.054328 0.914202
H 3.891492 -0.642079 -0.781136
H 4.041182 0.609249 0.452629
H -2.684833 1.237546 1.882642
H -3.193648 -0.401939 1.460265
H -1.609185 -0.136963 2.181000
H -3.331177 1.886837 -0.469510
H -2.512752 1.201176 -1.875358
H -3.677255 0.232215 -0.970180
H -0.639498 -3.515285 -0.799276
H -1.673712 -3.342117 0.456885


%chk=000243978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243978

0 1
S 1.315982 -1.602359 -0.702995
N -1.530563 -0.906643 -0.418404
N -0.845982 -3.133696 -0.177807
C -0.594092 1.473014 0.102888
C 2.058036 0.049839 -0.003655
C -1.823971 0.461509 0.086279
C 0.340619 1.463296 1.351117
C 0.242387 1.414483 -1.222946
C 1.480131 0.405910 1.396726
C 1.756923 1.195997 -0.998823
C -0.514702 -1.750232 0.107436
C 3.575475 -0.221670 0.083228
C -2.476548 0.352966 1.490881
C -2.883255 1.035437 -0.896252
H -1.092170 2.464556 0.146623
H -0.255557 1.409781 2.280693
H 0.822211 2.461719 1.369640
H 0.095087 2.338519 -1.813506
H -0.115424 0.574932 -1.848036
H 2.307566 0.827175 2.004040
H 1.170499 -0.513726 1.924913
H 2.240672 0.975259 -1.969622
H 2.227507 2.123650 -0.606719
H -1.710342 -1.065428 -1.414620
H -0.340072 -1.497625 1.170396
H 3.796321 -0.989413 0.845673
H 3.977282 -0.576206 -0.883506
H 4.110255 0.709941 0.357560
H -2.670274 1.355367 1.916337
H -3.436856 -0.186603 1.411690
H -1.838773 -0.199549 2.203465
H -3.274560 1.997922 -0.522889
H -2.450018 1.209951 -1.898987
H -3.731247 0.333984 -0.998821
H -1.808501 -3.399289 0.035660
H -0.124051 -3.829669 0.010146


