%chk=000113914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113914

0 1
 S   -3.785000     -0.7550000      0.6721000    
 N    2.591700      0.6013000      0.5781000    
 N   -1.014300      6.1099999E-02 -0.4775000    
 C    1.168600      0.2023000      0.6758000    
 C   0.4873000      0.9320000       1.851300    
 C    3.311100      0.3182000       1.832700    
 C    1.217500      0.6965000       3.167100    
 C    2.689500       1.049100       3.020400    
 C   0.3773000      0.5134000     -0.6027000    
 C    3.284800     -5.7999998E-02 -0.5325000    
 C    4.697500      0.4787000     -0.7373000    
 C   -2.031200       1.045200     -0.5666000    
 C   -1.238200      -1.332600     -0.3437000    
 C    5.415000     -0.1878000      -1.913400    
 C   -3.335600      0.7857000     -0.1015000    
 C   -2.464000      -1.827600      0.1439000    
 C   -1.799600       2.308900      -1.152700    
 C  -0.2675000      -2.285700     -0.7223000    
 C    6.796900      0.4087000      -2.130800    
 C   -4.342400       1.762600     -0.1994000    
 C   -2.683500      -3.211100      0.2678000    
 C   -2.805200       3.274500      -1.251900    
 C  -0.4928000      -3.659700     -0.6019000    
 C   -4.077100       3.002200     -0.7719000    
 C   -1.700900      -4.122800     -0.1032000    
 H    1.142700     -0.8698000      0.9013000    
 H  -0.5457000      0.5935000       1.985700    
 H   0.4467000       2.011300       1.652400    
 H    4.344700      0.6711000       1.799500    
 H    3.337000     -0.7608000       2.034600    
 H    1.117000     -0.3555000       3.460900    
 H   0.7640000       1.298300       3.962300    
 H    2.796500       2.132900       2.885400    
 H    3.225100      0.7869000       3.939900    
 H   0.7949000      6.8300001E-02  -1.509700    
 H   0.4992000       1.587500     -0.7560000    
 H    3.311100      -1.145800     -0.3871000    
 H    2.769700      0.1245000      -1.478700    
 H    5.329400      0.3062000      0.1386000    
 H    4.658300       1.563200     -0.9006000    
 H    4.824400     -6.3400000E-02  -2.828400    
 H    5.508300      -1.264500      -1.730500    
 H  -0.8559000       2.581700      -1.613300    
 H   0.6908000      -1.994800      -1.143300    
 H    7.426600      0.2744000      -1.245500    
 H    7.291400     -7.9999998E-02  -2.976200    
 H    6.732700       1.479700      -2.348200    
 H   -5.347300       1.566700      0.1696000    
 H   -3.625700      -3.593900      0.6552000    
 H   -2.593200       4.232400      -1.718200    
 H   0.2775000      -4.363400     -0.9036000    
 H   -4.862200       3.748200     -0.8477000    
 H   -1.880400      -5.189100     -6.6000000E-03


%chk=000113914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113914

0 1
S -3.629675 -0.595997 0.962301
N 2.683554 0.500809 0.846123
N -0.945498 0.145917 -0.290328
C 1.234153 0.140753 0.982709
C 0.588019 0.845535 2.203010
C 3.442884 0.340243 2.122340
C 1.369395 0.627371 3.511817
C 2.822013 1.098769 3.305382
C 0.464165 0.599235 -0.293974
C 3.396237 -0.252219 -0.229801
C 4.581819 0.531530 -0.834509
C -1.986457 1.080760 -0.588841
C -1.223861 -1.255151 -0.338283
C 5.327702 -0.275582 -1.921657
C -3.311014 0.852563 -0.121711
C -2.467868 -1.756363 0.137451
C -1.751018 2.242565 -1.374424
C -0.292435 -2.188453 -0.870977
C 6.509975 0.503776 -2.536982
C -4.358897 1.744247 -0.422039
C -2.785364 -3.126141 0.058761
C -2.791601 3.158536 -1.641619
C -0.593872 -3.566521 -0.915583
C -4.100366 2.916767 -1.169063
C -1.841884 -4.044359 -0.457809
H 1.114107 -0.964434 1.116522
H -0.454213 0.490015 2.295373
H 0.547805 1.934288 1.994155
H 4.475275 0.693736 1.948065
H 3.512134 -0.746852 2.397109
H 1.362432 -0.447356 3.787543
H 0.884671 1.177250 4.340363
H 2.836759 2.186396 3.098135
H 3.434764 0.920352 4.209900
H 0.978197 0.286838 -1.223686
H 0.472889 1.700157 -0.281793
H 3.762960 -1.238516 0.154918
H 2.693154 -0.486487 -1.048777
H 5.299229 0.813462 -0.038695
H 4.198359 1.479173 -1.260230
H 4.615003 -0.559282 -2.723567
H 5.698111 -1.225910 -1.484941
H -0.757616 2.427302 -1.793801
H 0.670520 -1.839896 -1.254903
H 7.253887 0.770509 -1.762680
H 7.027689 -0.090072 -3.312497
H 6.163486 1.444152 -3.005404
H -5.368924 1.527465 -0.058348
H -3.760546 -3.472322 0.417267
H -2.578447 4.052614 -2.237752
H 0.147152 -4.264395 -1.320764
H -4.910689 3.620976 -1.382912
H -2.080754 -5.111856 -0.499193


