%chk=000215984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215984

0 1
S -0.803068 2.030448 -0.604404
S 0.802831 2.021138 0.638994
N -4.212384 -0.854027 0.112068
N 4.214390 -0.848768 -0.123934
N -1.862696 0.797333 -0.018431
N 1.863626 0.798685 0.033317
C -3.955912 0.204800 1.144324
C -2.907330 -1.408947 -0.379294
C 3.957442 0.226794 -1.138619
C 2.909600 -1.412579 0.357910
C -3.139269 1.351757 0.508452
C -2.079882 -0.276104 -1.026076
C 3.139935 1.362569 -0.484054
C 2.081265 -0.291118 1.023128
C -5.058217 -1.943569 0.684262
C 5.061047 -1.928160 -0.713865
H -3.423593 -0.181246 2.040534
H -4.935107 0.602854 1.485596
H -3.124995 -2.182104 -1.146443
H -2.312444 -1.895533 0.423544
H 4.936446 0.631055 -1.473068
H 3.425543 -0.144741 -2.041188
H 2.315205 -1.886232 -0.452986
H 3.127616 -2.198154 1.112235
H -3.751179 1.847411 -0.278843
H -2.908449 2.115287 1.284006
H -1.089876 -0.673965 -1.344180
H -2.603173 0.088574 -1.938647
H 3.751358 1.845513 0.311479
H 2.908805 2.138681 -1.246921
H 1.091447 -0.694825 1.334383
H 2.604109 0.058778 1.941724
H -4.621063 -2.470917 1.544640
H -5.270987 -2.682761 -0.104870
H -6.027118 -1.518878 0.993194
H 4.624410 -2.441503 -1.582932
H 5.274134 -2.680150 0.062994
H 6.029734 -1.497796 -1.015530


%chk=000215984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215984

0 1
S -0.476713 1.885008 -1.150143
S 0.475291 1.857614 1.195723
N -3.304969 -1.008591 0.301044
N 3.307909 -1.002774 -0.317743
N -1.893860 0.879918 -1.378344
N 1.895218 0.851203 1.398177
C -3.389833 0.448309 0.577728
C -1.993276 -1.368801 -0.289385
C 3.386637 0.458927 -0.569502
C 1.998732 -1.377593 0.269104
C -3.173666 1.246738 -0.728682
C -1.765226 -0.577819 -1.597624
C 3.171983 1.233599 0.751281
C 1.770862 -0.610524 1.591492
C -3.633596 -1.827373 1.483452
C 3.636655 -1.799740 -1.514961
H -2.632025 0.773491 1.334598
H -4.395611 0.673000 0.979880
H -1.988200 -2.453145 -0.510172
H -1.149073 -1.155161 0.415492
H 4.390244 0.694295 -0.970939
H 2.625101 0.794417 -1.318101
H 1.152565 -1.154462 -0.430427
H 1.997589 -2.465637 0.470941
H -3.993044 1.005581 -1.434598
H -3.172093 2.330695 -0.531268
H -0.767366 -0.787914 -2.016971
H -2.536846 -0.877564 -2.334299
H 3.994361 0.982776 1.450336
H 3.166233 2.320877 0.573102
H 0.774280 -0.830788 2.008705
H 2.544514 -0.921428 2.321414
H -2.920186 -1.684503 2.334202
H -3.628516 -2.897422 1.207540
H -4.647020 -1.572058 1.841820
H 2.920367 -1.645257 -2.361271
H 3.636788 -2.874384 -1.257532
H 4.647991 -1.533912 -1.871569


