%chk=000134010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000134010

0 1
S -5.344351 -1.897740 -0.519715
O -5.325175 2.753199 -1.360230
O 2.375346 -1.250304 -1.096051
N -4.170331 1.309010 0.093286
N -6.475957 1.391062 0.168609
N 3.371266 0.067676 0.511439
N 5.568611 0.774246 0.819988
N 7.757998 1.461449 1.343126
C -4.549581 0.171914 0.975375
C -6.134558 0.187777 0.973280
C -4.028087 -1.210524 0.551760
C -6.700493 -1.108697 0.393298
C -2.720224 -1.256039 -0.226155
C -1.530841 -0.796524 0.631166
C -5.326768 1.894070 -0.507915
C -0.222892 -0.874228 -0.163597
C 0.964566 -0.362536 0.662022
C 2.263696 -0.582493 -0.090623
C 4.716288 0.027472 0.041414
C 5.135540 -0.684515 -1.095650
C 6.489493 -0.633424 -1.438442
C 6.896754 0.784491 0.467206
C 7.391394 0.099109 -0.672117
H -4.172254 0.416074 2.002329
H -6.516955 0.349259 2.012650
H -3.944054 -1.856471 1.460386
H -7.549822 -0.946422 -0.296161
H -7.070691 -1.785290 1.185492
H -2.535061 -2.294495 -0.581483
H -2.780516 -0.649644 -1.154358
H -3.330870 1.214366 -0.475730
H -7.381518 1.439837 -0.286541
H -1.457461 -1.424972 1.540649
H -1.694875 0.237605 0.993192
H -0.300856 -0.290000 -1.103277
H -0.026106 -1.918218 -0.489760
H 0.820318 0.710146 0.905696
H 1.010776 -0.894017 1.636586
H 3.229940 0.629066 1.361437
H 4.421597 -1.257863 -1.691290
H 6.840016 -1.176229 -2.318722
H 8.444335 0.129836 -0.924217
H 8.619626 1.822084 0.965476
H 7.331636 2.052298 2.045972


%chk=000134010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134010

0 1
S -5.491778 -1.680445 -0.921970
O -5.445273 3.152095 -0.901251
O 2.510342 -1.885455 -0.772822
N -4.273609 1.347778 0.122580
N -6.493916 1.404136 0.332425
N 3.382434 -0.039780 0.383517
N 5.461311 0.940932 0.601991
N 7.469187 2.076917 0.959062
C -4.548714 0.151873 0.921770
C -6.135402 0.171122 1.038221
C -4.090120 -1.189715 0.272213
C -6.716803 -1.118857 0.396322
C -2.734872 -1.148444 -0.452681
C -1.544096 -0.845711 0.491027
C -5.409488 2.085538 -0.232448
C -0.187613 -0.916002 -0.243200
C 1.005424 -0.600902 0.685269
C 2.354784 -0.907797 0.017995
C 4.752356 -0.067897 0.013363
C 5.317629 -1.024872 -0.862422
C 6.704086 -0.904559 -1.122845
C 6.797643 1.037038 0.335673
C 7.465734 0.119973 -0.533333
H -4.083308 0.233050 1.925054
H -6.451156 0.218494 2.099482
H -4.072324 -1.965097 1.064245
H -7.691487 -0.937336 -0.083673
H -6.820600 -1.918042 1.151572
H -2.560785 -2.128325 -0.938345
H -2.782798 -0.399257 -1.266604
H -3.345214 1.664448 -0.140644
H -7.445410 1.735735 0.200280
H -1.543704 -1.575651 1.327662
H -1.664149 0.156282 0.954756
H -0.185604 -0.212593 -1.099571
H -0.036597 -1.925140 -0.669157
H 0.964975 0.450681 1.031872
H 0.934941 -1.238269 1.591532
H 3.168041 0.732802 1.021581
H 4.695229 -1.803780 -1.301537
H 7.188109 -1.621316 -1.795022
H 8.537819 0.218276 -0.730937
H 8.462180 2.229049 0.814190
H 6.941497 2.700422 1.564607


