%chk=000114320.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114320

0 1
 S   -1.069800       2.878700     -0.2406000    
 N   0.8972000      0.4973000     -0.5940000    
 N    3.875300      -3.264000      0.4443000    
 C   -4.618400     -0.9106000      0.1968000    
 C   -3.185600     -0.5495000     -1.1000000E-03
 C  -0.4642000      0.1479000     -0.4066000    
 C    1.782300     -0.5197000      -1.176400    
 C   -1.447800       1.137800     -0.2120000    
 C   -2.795400      0.7854000     -1.9300001E-02
 C    2.381500      -1.394000     -7.3100001E-02
 C    1.484500       1.727200     -0.2033000    
 C   -4.809200      -1.793800       1.469100    
 C   -5.173500      -1.714100      -1.020300    
 C   -5.597000      0.2972000      0.3786000    
 C   -2.232800      -1.542000     -0.1733000    
 C  -0.8928000      -1.197100     -0.3699000    
 C   0.6940000       2.873600      1.1400000E-02
 C    3.327100      -2.460100     -0.6221000    
 C    2.872600       1.854500      2.3000000E-02
 C    1.280900       4.089100      0.4059000    
 C    3.450000       3.063600      0.4199000    
 C    2.653800       4.183000      0.6083000    
 C    4.777800      -4.297400     -8.1100002E-02
 C    2.809200      -3.893000       1.235600    
 H    1.247700      -1.137700      -1.910100    
 H    2.578100     -5.4900002E-02  -1.773700    
 H    2.919300     -0.7932000      0.6679000    
 H    1.565600      -1.852000      0.4874000    
 H   -3.514900       1.587900      0.1129000    
 H   -5.865800      -2.036800       1.631300    
 H   -4.267400      -2.742900       1.393100    
 H   -4.442200      -1.274000       2.362100    
 H   -4.641500      -2.661200      -1.161900    
 H   -6.234500      -1.955900     -0.8882000    
 H   -5.072500      -1.136300      -1.946600    
 H   -5.596300      0.9512000     -0.5013000    
 H   -6.628400     -4.8500001E-02  0.5190000    
 H   -5.337800      0.8954000       1.259900    
 H   -2.500000      -2.594900     -0.1671000    
 H  -0.2157000      -2.030600     -0.5218000    
 H    4.139900      -1.957500      -1.161400    
 H    2.791300      -3.079600      -1.353700    
 H    3.564600       1.032000     -0.1226000    
 H   0.6726000       4.978100      0.5601000    
 H    4.523200       3.126700      0.5753000    
 H    3.097800       5.125500      0.9133000    
 H    5.593300      -3.839200     -0.6517000    
 H    4.255400      -5.007400     -0.7326000    
 H    5.244100      -4.855100      0.7387000    
 H    3.232600      -4.636700       1.922200    
 H    2.068900      -4.404400      0.6095000    
 H    2.305200      -3.171800       1.886400    


%chk=000114320-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000114320

0 1
S -1.083942 2.980086 -0.584155
N 0.924015 0.571898 -0.640054
N 3.922431 -3.424489 0.335219
C -4.709163 -0.909637 0.166863
C -3.235478 -0.495294 -0.048814
C -0.448386 0.223222 -0.444965
C 1.850689 -0.489877 -1.093765
C -1.466797 1.206315 -0.318660
C -2.813934 0.856586 -0.098392
C 2.440058 -1.404018 0.017206
C 1.472349 1.810114 -0.189389
C -4.817953 -1.772649 1.460330
C -5.194931 -1.749464 -1.052959
C -5.648829 0.314156 0.320358
C -2.227029 -1.478051 -0.211401
C -0.871700 -1.135313 -0.385324
C 0.663996 2.974232 -0.033403
C 3.072715 -2.664340 -0.609144
C 2.859537 1.940093 0.106990
C 1.204902 4.186393 0.437280
C 3.409352 3.167690 0.535519
C 2.586250 4.298157 0.716362
C 4.708490 -4.468513 -0.354606
C 3.172787 -3.974003 1.483524
H 1.303695 -1.114539 -1.824995
H 2.673388 -0.007779 -1.653110
H 3.217672 -0.876955 0.598174
H 1.642372 -1.675795 0.731259
H -3.541474 1.665868 0.012893
H -5.866389 -2.085577 1.625021
H -4.197948 -2.684914 1.394553
H -4.483443 -1.199433 2.344237
H -4.582816 -2.659018 -1.190018
H -6.245199 -2.065447 -0.906850
H -5.136143 -1.158135 -1.984989
H -5.643988 0.952418 -0.582768
H -6.686552 -0.033183 0.477500
H -5.370356 0.938098 1.189866
H -2.490964 -2.541555 -0.189455
H -0.142660 -1.943678 -0.476110
H 3.718462 -2.356288 -1.456436
H 2.257497 -3.306673 -1.044768
H 3.523222 1.078371 0.012775
H 0.543725 5.051123 0.560827
H 4.483627 3.227250 0.741520
H 3.003041 5.249043 1.062726
H 5.319355 -4.009062 -1.152303
H 4.076367 -5.268283 -0.819656
H 5.393832 -4.952563 0.363965
H 3.869952 -4.508108 2.153220
H 2.367002 -4.691669 1.179484
H 2.707593 -3.160614 2.065021


