%chk=000295815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295815

0 1
S -2.534836 -1.980797 -1.482769
O -3.020519 1.615305 -1.190388
O -2.768117 -0.547130 2.894409
O 3.943977 -0.400909 -1.018875
O 2.014132 -0.709756 -2.869341
O 3.316987 0.101759 1.091841
N -3.183895 0.352667 0.772945
N -0.029832 -1.290534 -2.098834
N -0.559318 -1.344637 0.236868
C -4.152443 -0.659193 0.307718
C -1.543886 2.010364 0.742576
C -1.459425 1.341864 1.997054
C -2.629547 1.377484 -0.077879
C -2.490363 0.251167 2.039987
C -3.484735 -2.009128 0.055370
C -0.696899 3.051487 0.430183
C -0.524954 1.708756 2.940483
C 0.266637 3.428605 1.396423
C 0.351531 2.773364 2.619039
C -0.901524 -1.495692 -1.056593
C 1.683593 -0.720064 -0.456746
C 1.372065 -0.871259 -1.863133
C 0.728513 -0.957212 0.521464
C 3.021430 -0.293686 -0.020508
C 5.322203 0.011189 -0.692383
C 6.033206 -0.075410 -2.024337
H -4.937324 -0.779801 1.096445
H -4.660843 -0.268962 -0.608178
H -4.239090 -2.816362 -0.054593
H -2.844374 -2.305414 0.922920
H -0.758215 3.567761 -0.528814
H -0.454332 1.198275 3.901979
H 0.954172 4.244421 1.165705
H 1.108724 3.071392 3.347259
H -0.319928 -1.405240 -3.079993
H 0.964223 -0.838842 1.594682
H 5.283240 1.031314 -0.273829
H 5.703769 -0.694506 0.064412
H 6.037460 -1.104137 -2.411829
H 7.070910 0.267194 -1.948158
H 5.524025 0.534402 -2.786182


%chk=000295815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295815

0 1
S -2.602849 -1.821606 -1.668426
O -3.528747 1.768437 -0.960827
O -2.454009 -0.635914 2.942982
O 4.104554 -0.540592 -1.119344
O 2.058972 -0.567638 -3.059347
O 3.438373 -0.468610 1.111506
N -3.187293 0.300216 0.885018
N -0.023992 -1.150243 -2.203912
N -0.510732 -1.463383 0.097548
C -4.129741 -0.757710 0.521418
C -1.851702 2.204614 0.832489
C -1.520481 1.479215 2.003842
C -2.932602 1.467429 0.102358
C -2.382883 0.257956 2.065225
C -3.423686 -2.035476 0.027190
C -1.200424 3.403126 0.505238
C -0.525212 1.927187 2.884515
C -0.189525 3.863401 1.389011
C 0.143903 3.135959 2.559533
C -0.893226 -1.441556 -1.181003
C 1.782438 -0.879976 -0.612400
C 1.390853 -0.837663 -2.029729
C 0.814672 -1.178901 0.354256
C 3.157950 -0.605786 -0.111179
C 5.510601 -0.276170 -0.678215
C 6.364814 -0.283984 -1.941108
H -4.721109 -1.025524 1.417858
H -4.809067 -0.348149 -0.246009
H -4.147119 -2.854731 -0.114081
H -2.622700 -2.345215 0.717935
H -1.464614 3.955155 -0.402125
H -0.274348 1.357752 3.784725
H 0.345105 4.792244 1.163526
H 0.933136 3.511756 3.219052
H -0.341796 -1.119189 -3.180637
H 1.113720 -1.196135 1.407184
H 5.530823 0.696903 -0.154372
H 5.802502 -1.060921 0.043198
H 6.309018 -1.262772 -2.446537
H 7.420031 -0.082438 -1.680471
H 6.022791 0.489033 -2.649482


