%chk=000036693.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036693

0 1
 O    1.617500      0.3463000     -9.4999999E-02
 N  -0.8099000      -3.300700      0.4892000    
 N   0.4787000       1.156900     -4.5600001E-02
 N    5.199600       1.158300      1.9200001E-02
 C   -3.128700     -0.8921000       1.201800    
 C   -1.819500      -1.462800       1.730900    
 C   -3.065500      0.4221000      0.4546000    
 C   -1.923900       1.002900     -0.1283000    
 C  -0.9697000      -1.958800      0.6002000    
 C  -0.3953000      -1.064800     -0.2927000    
 C  -0.5651000      0.3917000     -0.1372000    
 C   -4.293700       1.109500      0.3356000    
 C   -2.030800       2.250200     -0.7759000    
 C   0.3954000      -1.558300      -1.330600    
 C   -4.388300       2.340300     -0.3123000    
 C   -3.253300       2.913400     -0.8652000    
 C    4.015200      0.3449000     -4.4300001E-02
 C   0.5730000      -2.929600      -1.458500    
 C    2.755200       1.189700      5.7000001E-03
 C  -4.6200000E-02  -3.750600     -0.5323000    
 C    6.417500      0.3386000     -7.5599998E-02
 C    5.237700       1.953000       1.256400    
 H   -3.782300     -0.7495000       2.073300    
 H   -3.620900      -1.627700      0.5513000    
 H   -2.043600      -2.301900       2.401600    
 H   -1.268100     -0.7269000       2.328700    
 H   -5.198900      0.6809000      0.7627000    
 H   -1.164900       2.717900      -1.240100    
 H   0.8446000     -0.9010000      -2.070700    
 H   -5.346200       2.846500     -0.3826000    
 H   -3.317100       3.870900      -1.373400    
 H    3.983700     -0.4011000      0.7619000    
 H    3.998700     -0.2325000     -0.9782000    
 H    2.744000       1.910300     -0.8217000    
 H    2.668700       1.734500      0.9515000    
 H    1.170700      -3.343400      -2.262500    
 H   5.7700001E-02  -4.829200     -0.5892000    
 H    6.506800     -0.3625000      0.7620000    
 H    7.309400      0.9747000     -9.4999999E-02
 H    6.420600     -0.2346000      -1.009400    
 H    4.492400       2.754100       1.247300    
 H    6.203400       2.464600       1.350900    
 H    5.096700       1.335700       2.151100    


%chk=000036693-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036693

0 1
O 1.736636 0.316269 -0.113149
N -1.088956 -3.503129 0.406347
N 0.469235 1.031963 -0.016767
N 5.324493 1.321420 0.116266
C -3.240366 -0.919892 1.200653
C -1.943222 -1.595022 1.706970
C -3.104964 0.405898 0.446122
C -1.903025 0.932324 -0.125294
C -1.131933 -2.143618 0.554973
C -0.487936 -1.250439 -0.347071
C -0.579500 0.225479 -0.133089
C -4.293302 1.178337 0.335510
C -1.942820 2.210240 -0.761231
C 0.243433 -1.800428 -1.428377
C -4.323026 2.432742 -0.302863
C -3.129694 2.957722 -0.851278
C 4.114904 0.469399 0.185618
C 0.288076 -3.201268 -1.588693
C 2.828413 1.301013 0.075294
C -0.391682 -4.010757 -0.651422
C 6.542329 0.523231 -0.137097
C 5.483906 2.204270 1.291775
H -3.901380 -0.741900 2.070902
H -3.778855 -1.645881 0.556773
H -2.205670 -2.437424 2.368732
H -1.347089 -0.868477 2.292202
H -5.215065 0.778441 0.776984
H -1.014935 2.596762 -1.192776
H 0.763813 -1.139633 -2.127030
H -5.261127 2.994917 -0.368874
H -3.128261 3.932153 -1.351620
H 4.078404 -0.148854 1.118412
H 4.138998 -0.231724 -0.669343
H 2.880711 1.976734 -0.798445
H 2.614740 1.891694 0.983941
H 0.837454 -3.658383 -2.417466
H -0.385401 -5.103509 -0.739072
H 6.784393 -0.195061 0.687421
H 7.407077 1.198802 -0.264126
H 6.421450 -0.055335 -1.070119
H 4.626099 2.892819 1.378121
H 6.393258 2.818133 1.166505
H 5.575685 1.639872 2.255281


