%chk=000207312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207312

0 1
S -1.172321 -2.788142 0.265431
O -3.093351 1.712312 -0.431017
O -4.708779 0.136152 -0.305123
N 1.831603 0.005347 -0.170516
N -3.887677 -2.517310 0.086388
C 3.283414 0.145804 0.230413
C 4.103828 -1.097401 -0.182828
C 3.848401 1.391359 -0.496361
C 5.592958 -0.900127 0.134184
C 5.332247 1.594497 -0.172850
C 6.154684 0.354383 -0.547082
C 1.013843 1.125359 0.412518
C 1.262356 -1.339452 0.207671
C -0.402758 1.117248 -0.190683
C -0.220181 -1.326211 0.137250
C -1.013631 -0.233737 -0.046831
C -2.431962 -0.527950 -0.090165
C -2.687362 -1.894126 0.065811
C -3.514939 0.410771 -0.273346
C -4.124811 2.737446 -0.597094
C -4.709355 3.097883 0.753123
H 3.385996 0.287446 1.337316
H 3.967756 -1.284278 -1.266498
H 3.743027 -2.002432 0.337544
H 3.271616 2.294662 -0.217896
H 3.705059 1.270045 -1.588771
H 6.161867 -1.791421 -0.191130
H 5.737662 -0.827893 1.229298
H 5.458435 1.818852 0.903542
H 5.714911 2.478906 -0.716081
H 7.212927 0.499445 -0.262634
H 6.146741 0.218653 -1.645925
H 1.511784 2.088687 0.158700
H 0.948183 1.072742 1.520771
H 1.588358 -1.672372 1.221050
H 1.667502 -2.067089 -0.537681
H -0.363989 1.379367 -1.272137
H -1.034544 1.898558 0.283757
H -4.741254 -1.963446 -0.042552
H -3.978053 -3.513332 0.177179
H -3.532892 3.552759 -1.050203
H -4.887394 2.362389 -1.303224
H -5.376404 3.964320 0.684662
H -5.294148 2.260126 1.163339
H -3.924652 3.331103 1.483479


%chk=000207312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207312

0 1
S -1.154048 -2.836331 0.236222
O -3.189805 1.745892 -0.433900
O -4.763645 0.019271 -0.406933
N 1.868792 0.030091 -0.027293
N -3.893832 -2.500003 -0.089204
C 3.341616 0.156796 0.235673
C 4.128084 -1.112806 -0.183082
C 3.918643 1.378772 -0.529524
C 5.650135 -0.948284 0.049830
C 5.435650 1.557661 -0.286665
C 6.218408 0.286433 -0.684439
C 1.074869 1.116782 0.615012
C 1.306020 -1.294983 0.359062
C -0.353179 1.194755 0.038222
C -0.193667 -1.274431 0.222033
C -0.998753 -0.175456 0.048186
C -2.419105 -0.498928 -0.094850
C -2.672560 -1.891151 -0.007179
C -3.543950 0.395702 -0.313197
C -4.313301 2.705768 -0.647262
C -4.917951 3.146818 0.689534
H 3.521918 0.310783 1.335964
H 3.931450 -1.309998 -1.257079
H 3.780525 -1.995709 0.384535
H 3.394318 2.308906 -0.243087
H 3.723347 1.219487 -1.608745
H 6.173648 -1.867421 -0.277715
H 5.841999 -0.843220 1.138214
H 5.615629 1.777702 0.786517
H 5.803031 2.432455 -0.857276
H 7.295490 0.406454 -0.456949
H 6.133833 0.133438 -1.780063
H 1.581627 2.080048 0.445073
H 1.017910 0.963611 1.724517
H 1.588562 -1.574103 1.411376
H 1.729921 -2.071607 -0.303364
H -0.323353 1.587048 -0.995724
H -0.958589 1.907124 0.626330
H -4.689816 -1.856551 -0.229539
H -4.006793 -3.508436 -0.035115
H -3.838021 3.544573 -1.181651
H -5.072469 2.225220 -1.288470
H -5.691251 3.918411 0.514976
H -5.392077 2.292986 1.201772
H -4.144560 3.576334 1.350053


