%chk=000052961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052961

0 1
 O    1.521000      0.6887000      -1.856100    
 N   -2.280000      -2.430600     -0.2937000    
 C   -1.212000     -0.2221000      0.1378000    
 C   -2.487000      0.3701000      0.1773000    
 C   -3.709800     -0.4390000     -0.1727000    
 C   -1.042600      -1.643200     -0.3407000    
 C   -3.370100      -1.711300     -0.9514000    
 C  -8.7200001E-02  0.5371000      0.4871000    
 C   -2.621600       1.698700      0.6000000    
 C    1.256000     -9.4999997E-03  0.4285000    
 C  -0.2307000       1.862400      0.8972000    
 C   -1.496400       2.441700      0.9559000    
 C    2.013800      8.4700003E-02 -0.7374000    
 C    1.783200     -0.6333000       1.557900    
 C    3.303000     -0.4467000     -0.7740000    
 C    3.072400      -1.164700       1.521200    
 C    3.832200      -1.071400      0.3553000    
 C    1.755900       2.088300      -1.992300    
 H   -4.220700     -0.7057000      0.7612000    
 H   -4.399700      0.1683000     -0.7705000    
 H  -0.6576000      -1.629800      -1.368000    
 H  -0.3192000      -2.174900      0.2854000    
 H   -4.256900      -2.353100     -0.9954000    
 H   -3.096800      -1.471800      -1.987100    
 H   -2.125700      -3.321300     -0.7655000    
 H   -3.604100       2.160800      0.6539000    
 H   0.6329000       2.461200       1.177800    
 H   -1.607300       3.472500       1.279400    
 H    1.204700     -0.7156000       2.475100    
 H    3.900800     -0.3787000      -1.679000    
 H    3.484500      -1.651400       2.400300    
 H    4.835900      -1.485400      0.3267000    
 H    2.612800       2.241000      -2.655100    
 H    1.952300       2.578300      -1.033100    
 H   0.8731000       2.544100      -2.448900    


%chk=000052961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052961

0 1
O 1.455240 0.080034 -1.946697
N -2.231789 -2.219104 -0.692936
C -1.148437 -0.128660 0.106108
C -2.451204 0.432174 0.232263
C -3.679426 -0.295812 -0.306047
C -0.955082 -1.479697 -0.576617
C -3.301051 -1.404238 -1.305302
C -0.024517 0.581080 0.632085
C -2.619170 1.677328 0.889048
C 1.372176 0.037980 0.544649
C -0.224283 1.812222 1.308041
C -1.516891 2.364104 1.435820
C 2.054287 -0.187551 -0.687552
C 2.069033 -0.274502 1.743648
C 3.352222 -0.746171 -0.713528
C 3.370019 -0.822917 1.727167
C 4.011080 -1.071489 0.491582
C 1.203173 1.503241 -2.249306
H -4.221669 -0.760713 0.540434
H -4.369807 0.430446 -0.778629
H -0.468194 -1.296176 -1.565223
H -0.247255 -2.090100 0.014978
H -4.174925 -2.048641 -1.509842
H -2.986821 -0.939857 -2.274796
H -2.103532 -3.126770 -1.156504
H -3.627572 2.101775 0.975529
H 0.644643 2.341049 1.716341
H -1.659110 3.321265 1.949599
H 1.557437 -0.107693 2.698608
H 3.824303 -0.910536 -1.687545
H 3.873259 -1.064179 2.669672
H 5.016561 -1.505954 0.465452
H 2.156607 2.066433 -2.262041
H 0.509794 1.957491 -1.518833
H 0.749998 1.512541 -3.252528


