%chk=000224958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224958

0 1
S -0.043522 2.656811 -1.604010
N -2.052946 1.027889 -0.643587
N 2.023354 1.070867 -0.694851
N -4.530522 -2.482881 0.670819
N 4.613530 -1.741001 1.666869
C -1.170542 2.088113 -0.421758
C 1.116589 1.378620 -1.712164
C -2.863011 0.880351 0.485873
C 2.854329 0.037994 -1.137886
C -1.428198 2.619714 0.848512
C 1.379526 0.544378 -2.806456
C -2.488620 1.873658 1.412957
C 2.467992 -0.286630 -2.453840
C -3.897438 -0.137653 0.632310
C 3.917609 -0.565041 -0.341910
C -2.089797 0.208192 -1.858812
C 2.063418 1.722677 0.617990
C -5.223495 0.232352 0.911199
C 5.237433 -0.589429 -0.822119
C -3.593714 -1.513318 0.529158
C 3.649155 -1.163402 0.909177
C -6.192024 -0.761236 1.065112
C 6.234342 -1.188692 -0.050112
C -5.809202 -2.106755 0.934809
C 5.885597 -1.750674 1.189451
H -0.922569 3.448821 1.303156
H 0.859137 0.545733 -3.743991
H -2.929091 2.023930 2.377721
H 2.919109 -1.039023 -3.068463
H -2.998096 -0.417969 -1.894794
H -2.084784 0.848315 -2.763081
H -1.203046 -0.454202 -1.914857
H 1.193852 1.420602 1.235113
H 2.987349 1.468392 1.165804
H 2.027536 2.824643 0.509181
H -5.487208 1.286947 1.004041
H 5.474316 -0.141846 -1.788503
H -2.569310 -1.854022 0.335529
H 2.631375 -1.190651 1.317047
H -7.225489 -0.500615 1.282203
H 7.263676 -1.221194 -0.400141
H -6.535710 -2.920314 1.044357
H 6.635112 -2.228851 1.830749


%chk=000224958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224958

0 1
S -0.045850 2.745006 -1.661053
N -2.100887 1.027528 -0.690505
N 2.069330 1.111215 -0.679147
N -4.699727 -2.518194 0.248646
N 4.759359 -1.395635 1.903661
C -1.239461 2.109062 -0.442681
C 1.186063 1.407313 -1.730299
C -2.945472 0.866489 0.425944
C 2.940550 0.088512 -1.104254
C -1.540721 2.645088 0.819292
C 1.499319 0.587832 -2.826227
C -2.615849 1.875376 1.357783
C 2.604544 -0.229007 -2.438692
C -3.963300 -0.184994 0.565713
C 3.984482 -0.525295 -0.270800
C -2.166815 0.296539 -1.965681
C 2.130927 1.858898 0.586638
C -5.192603 0.097904 1.228191
C 5.224304 -0.916322 -0.853727
C -3.775787 -1.525300 0.112301
C 3.812597 -0.810069 1.117170
C -6.149369 -0.922801 1.394636
C 6.205492 -1.540571 -0.058266
C -5.871463 -2.211225 0.880330
C 5.940360 -1.750481 1.315603
H -1.030282 3.487607 1.281721
H 0.977629 0.589151 -3.781265
H -3.071408 1.991298 2.340079
H 3.077079 -1.009677 -3.032971
H -3.186601 -0.086874 -2.121597
H -1.910831 0.987998 -2.785383
H -1.452201 -0.545265 -1.988759
H 1.422601 1.454677 1.331403
H 3.152272 1.814032 0.994026
H 1.864528 2.911156 0.393095
H -5.391195 1.113587 1.586695
H 5.410939 -0.710827 -1.913265
H -2.833066 -1.827725 -0.357197
H 2.864419 -0.584692 1.618064
H -7.100467 -0.725274 1.899235
H 7.165203 -1.847078 -0.486322
H -6.595521 -3.028241 0.973303
H 6.682879 -2.217121 1.972364


