%chk=000134946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134946

0 1
 S   -1.229200      0.1826000       1.174400    
 N   -4.271000      -1.912700     -0.6222000    
 N   0.8479000      -1.398100      0.7149000    
 C   -3.710300     -0.9084000      0.2989000    
 C   -2.179800     -0.9077000      8.1299998E-02
 C   -4.096300      -1.331400       1.723900    
 C   -4.343300      0.4519000     -3.3900000E-02
 C   -3.722700      -3.229900     -0.3195000    
 C   -3.989500      -1.536900      -2.003200    
 C   0.4432000     -0.1121000      0.6036000    
 C    1.227800      0.9053000      9.9500000E-02
 C    2.510600      0.5799000     -0.3169000    
 C    2.969700     -0.7405000     -0.2192000    
 C    2.093300      -1.710900      0.3098000    
 C   0.7809000       2.278700     -1.4000000E-02
 C    4.263300      -1.102300     -0.6321000    
 C    2.550000      -3.022500      0.4066000    
 C   0.1482000       2.710400      -1.178600    
 C   0.9845000       3.165900       1.041700    
 C    4.694000      -2.421500     -0.5237000    
 C    3.836000      -3.382500     -3.8000001E-03
 C  -0.2822000       4.032800      -1.287900    
 C   0.5541000       4.488200      0.9326000    
 C  -7.9200000E-02   4.921600     -0.2323000    
 H   -1.905100     -0.5791000     -0.9242000    
 H   -1.736300      -1.888900      0.2545000    
 H   -3.978500     -0.4934000       2.422200    
 H   -3.472900      -2.138500       2.123200    
 H   -5.148500      -1.635100       1.788500    
 H   -5.430300      0.3746000     -0.1571000    
 H   -4.174900       1.167000      0.7805000    
 H   -3.920900      0.9182000     -0.9304000    
 H   -3.883000      -3.572000      0.7057000    
 H   -2.675500      -3.380700     -0.5988000    
 H   -4.277000      -3.963200     -0.9219000    
 H   -4.504300      -2.253400      -2.658000    
 H   -2.938000      -1.588500      -2.300600    
 H   -4.407900     -0.5718000      -2.300200    
 H    3.166100       1.349800     -0.7217000    
 H    4.943000     -0.3579000      -1.040700    
 H    1.897000      -3.794100      0.8105000    
 H  -1.8700000E-02   2.030000      -2.010300    
 H    1.476500       2.844300       1.956700    
 H    5.694200      -2.697300     -0.8438000    
 H    4.163700      -4.414200      8.4200002E-02
 H  -0.7759000       4.370200      -2.194500    
 H   0.7118000       5.180400       1.754500    
 H  -0.4146000       5.951100     -0.3171000    


%chk=000134946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134946

0 1
S -1.439421 0.592872 0.097094
N -4.364996 -2.450463 -0.131176
N 0.628012 -1.148828 -0.278558
C -3.791522 -1.061524 0.029147
C -2.236572 -1.122794 -0.096848
C -4.210296 -0.503823 1.415681
C -4.396213 -0.139772 -1.062875
C -4.048037 -3.422308 0.938465
C -4.217612 -3.074520 -1.464628
C 0.332611 0.142748 -0.086561
C 1.326593 1.207446 -0.067199
C 2.652355 0.823488 -0.298478
C 3.012732 -0.545698 -0.517634
C 1.947994 -1.522521 -0.486947
C 0.997568 2.644495 0.167292
C 4.355845 -0.980558 -0.746844
C 2.258092 -2.903977 -0.681919
C 1.510274 3.637612 -0.711968
C 0.227325 3.062414 1.286693
C 4.636676 -2.337623 -0.937267
C 3.581048 -3.302917 -0.903182
C 1.257512 5.007638 -0.483827
C -0.023122 4.432406 1.515863
C 0.488784 5.411011 0.632340
H -1.920872 -1.502453 -1.082111
H -1.787973 -1.761856 0.680672
H -3.984486 0.574651 1.477013
H -3.676271 -0.995355 2.247597
H -5.296581 -0.647118 1.554513
H -5.495404 -0.247456 -1.065509
H -4.143111 0.914366 -0.855625
H -4.012708 -0.371890 -2.071663
H -4.293471 -3.007629 1.928498
H -2.982887 -3.761340 0.955110
H -4.676492 -4.320150 0.791563
H -4.842013 -3.986599 -1.494601
H -3.172590 -3.378814 -1.719290
H -4.582897 -2.400158 -2.254502
H 3.438090 1.588199 -0.284380
H 5.162123 -0.237224 -0.768899
H 1.434984 -3.624719 -0.653607
H 2.088612 3.328075 -1.590348
H -0.162154 2.314495 1.984976
H 5.666347 -2.667821 -1.112046
H 3.814677 -4.362926 -1.052728
H 1.652835 5.756959 -1.178753
H -0.613479 4.735714 2.387635
H 0.290090 6.473645 0.810921


