%chk=000044944.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044944

0 1
 O   0.2088000      -1.139200     -0.6729000    
 O  -0.7785000       1.046800      0.7310000    
 O   0.6252000      -2.208100       1.336700    
 O   -1.074200       2.149600      -1.282800    
 N  -0.8146000      -3.206400     -0.1931000    
 N   -2.899800       1.764000      0.1057000    
 N    4.639300      0.7277000     -0.4877000    
 C    1.042300     -0.1369000     -0.2773000    
 C   0.5824000      0.9571000      0.4207000    
 C    2.401200     -0.2139000     -0.5819000    
 C    3.264800      0.8052000     -0.1807000    
 C    1.410600       1.978800      0.8299000    
 C    2.769500       1.901600      0.5252000    
 C   4.8200000E-02  -2.197600      0.2498000    
 C   -1.546000       1.694600     -0.2415000    
 C   -1.080000      -4.364100      0.6488000    
 C   -1.496800      -3.182700      -1.482900    
 C   -3.852500       2.405700     -0.7890000    
 C   -3.450000       1.217800       1.342100    
 H    2.782200      -1.070900      -1.132800    
 H    1.025000       2.831600       1.379700    
 H    3.432200       2.702200      0.8437000    
 H   -2.152500      -4.407300      0.8599000    
 H  -0.5337000      -4.310400       1.593800    
 H  -0.7751000      -5.267200      0.1123000    
 H   -2.576300      -3.209700      -1.307600    
 H   -1.196900      -4.066500      -2.053400    
 H   -1.255800      -2.289300      -2.062100    
 H   -4.611100       1.673100      -1.079400    
 H   -3.366300       2.789700      -1.689200    
 H   -4.328400       3.236300     -0.2597000    
 H   -4.205300      0.4690000       1.086400    
 H   -3.918800       2.030900       1.904200    
 H   -2.689100      0.7494000       1.969000    
 H    5.265300       1.467200     -0.1976000    
 H    4.999500     -6.6100001E-02  -1.000300    


%chk=000044944-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044944

0 1
O 0.522255 -1.169096 -0.647518
O -0.580250 1.110166 0.722731
O 0.108996 -1.913932 1.565490
O -1.220982 1.407624 -1.541270
N -1.203047 -2.634637 -0.251555
N -2.809503 1.067644 0.162158
N 4.956275 0.828382 -0.430447
C 1.354926 -0.102407 -0.220953
C 0.798977 1.051059 0.379254
C 2.727818 -0.184046 -0.495366
C 3.587647 0.899946 -0.160113
C 1.644194 2.120974 0.720222
C 3.026356 2.054302 0.459576
C -0.192093 -1.913927 0.347959
C -1.532780 1.209104 -0.341552
C -1.953775 -3.600981 0.563544
C -1.544149 -2.543136 -1.681272
C -3.948846 1.271183 -0.744424
C -3.111127 0.809509 1.579901
H 3.116136 -1.093545 -0.965288
H 1.205486 3.006671 1.190297
H 3.672726 2.896776 0.730981
H -3.031522 -3.347646 0.571481
H -1.569078 -3.572464 1.594017
H -1.836959 -4.625383 0.159609
H -2.644862 -2.526445 -1.791768
H -1.149014 -3.411488 -2.244961
H -1.126655 -1.621286 -2.108170
H -4.589842 0.368817 -0.772132
H -3.567529 1.475667 -1.756106
H -4.565583 2.128301 -0.410049
H -3.903883 0.040882 1.651193
H -3.469161 1.727932 2.086555
H -2.210845 0.447718 2.093904
H 5.573775 1.596542 -0.187258
H 5.360715 0.003221 -0.861669


