%chk=000137903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137903

0 1
 O    2.350600      -2.589000      5.9700001E-02
 N   -1.620600     -4.4000000E-02  6.6799998E-02
 C    1.978200       1.037600     -7.7000000E-02
 C   0.5024000       1.100700      0.3765000    
 C  -0.2714000     -0.1788000      0.1493000    
 C    2.627800     -0.2436000      0.4701000    
 C   -2.545900      -1.150100     -0.1533000    
 C   -2.329000       1.225500      0.1882000    
 C   -3.872000     -0.4655000     -0.4699000    
 C   -3.792000      0.8196000      0.3374000    
 C    2.076700       1.075000      -1.616800    
 C    2.728900       2.262000      0.4775000    
 C   0.3464000      -1.365500      3.3700000E-02
 C    1.819600      -1.483900      0.1577000    
 H   4.4100001E-02   1.943000     -0.1557000    
 H   0.4508000       1.337500       1.448200    
 H    2.731900     -0.1940000       1.561100    
 H    3.630200     -0.3703000      4.3600000E-02
 H   -2.632800      -1.755100      0.7566000    
 H   -2.252400      -1.793600     -0.9896000    
 H   -2.195700       1.821600     -0.7222000    
 H   -2.014200       1.811700       1.058200    
 H   -4.735800      -1.081900     -0.2062000    
 H   -3.929900     -0.2312000      -1.539800    
 H   -4.480100       1.591000     -1.9099999E-02
 H   -4.020900      0.6139000       1.390200    
 H    3.122500       1.043700      -1.943300    
 H    1.634400       1.994900      -2.016000    
 H    1.561300      0.2326000      -2.088800    
 H    3.782700       2.249100      0.1768000    
 H    2.697100       2.285700       1.572600    
 H    2.287500       3.196000      0.1119000    
 H  -0.1842000      -2.296500     -0.1315000    


%chk=000137903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137903

0 1
O 2.376943 -2.653892 0.097278
N -1.642067 0.010885 0.010162
C 2.015534 1.052057 -0.075174
C 0.529550 1.150393 0.380529
C -0.273840 -0.120457 0.125338
C 2.623014 -0.255214 0.501761
C -2.538208 -1.144523 -0.247579
C -2.405278 1.276510 0.169784
C -3.931689 -0.505241 -0.450867
C -3.859012 0.797072 0.386889
C 2.103338 1.044986 -1.624693
C 2.789499 2.277857 0.470547
C 0.363561 -1.357867 0.036061
C 1.801364 -1.515553 0.186062
H 0.057141 2.012037 -0.129514
H 0.502306 1.375373 1.468488
H 2.695291 -0.172412 1.607131
H 3.650220 -0.415508 0.126080
H -2.522592 -1.840634 0.616395
H -2.198105 -1.709017 -1.136195
H -2.329364 1.905677 -0.742040
H -2.027374 1.866682 1.022954
H -4.746641 -1.176008 -0.132297
H -4.086920 -0.262655 -1.518109
H -4.598458 1.553232 0.074423
H -4.026370 0.571590 1.456013
H 3.158136 0.973571 -1.948425
H 1.680770 1.976469 -2.048091
H 1.558156 0.188251 -2.057948
H 3.851787 2.233750 0.166471
H 2.755869 2.316003 1.576305
H 2.367330 3.224873 0.081641
H -0.197691 -2.280189 -0.142480


