%chk=000009931.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009931

0 1
 O   -1.351800      0.7043000      2.3300000E-02
 N    4.606300      -2.657400     -0.5223000    
 C    1.628500      -1.069600       1.246300    
 C    2.458700      -1.651400      9.7099997E-02
 C   0.2795000     -0.5977000      0.7917000    
 C    3.840600      -2.088300      0.5804000    
 C  -3.2800000E-02  0.6492000      0.3451000    
 C  -0.8883000      -1.370200      0.7536000    
 C   -1.865200     -0.5285000      0.2747000    
 C   0.6954000       1.871500      0.1467000    
 C   -3.265200     -0.6810000     -3.4000000E-03
 C    5.919600      -3.108900     -5.8699999E-02
 C    4.757500      -1.681400      -1.602800    
 C    1.313900       2.131900      -1.079600    
 C   0.7908000       2.808100       1.180000    
 C   -3.899000      -1.907600      0.2186000    
 C   -4.005500      0.3966000     -0.4997000    
 C    2.021800       3.318400      -1.271000    
 C    1.498500       3.994900      0.9886000    
 C    2.114100       4.249900     -0.2368000    
 C   -5.259400      -2.055200     -5.2900001E-02
 C   -5.365700      0.2491000     -0.7711000    
 C   -5.992600     -0.9769000     -0.5477000    
 H    1.498600      -1.830200       2.026800    
 H    2.170800     -0.2381000       1.713800    
 H    1.927900      -2.501400     -0.3510000    
 H    2.529200     -0.8743000     -0.6716000    
 H    4.365100      -1.235300       1.031000    
 H    3.713200      -2.843000       1.366600    
 H   -1.003800      -2.406700       1.037800    
 H    5.811500      -3.859800      0.7319000    
 H    6.527300      -2.283400      0.3296000    
 H    6.471400      -3.591200     -0.8733000    
 H    3.825100      -1.536700      -2.157000    
 H    5.471200      -2.048900      -2.350700    
 H    5.124100     -0.7119000      -1.245900    
 H    1.252300       1.415900      -1.896000    
 H   0.3171000       2.624800       2.141700    
 H   -3.355700      -2.766900      0.6033000    
 H   -3.554000       1.367800     -0.6875000    
 H    2.501400       3.517000      -2.225000    
 H    1.570500       4.720200       1.793800    
 H    2.665300       5.173800     -0.3858000    
 H   -5.747800      -3.009600      0.1210000    
 H   -5.937200       1.088500      -1.156600    
 H   -7.051700      -1.091600     -0.7590000    


%chk=000009931-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009931

0 1
O -1.394166 0.823399 0.126599
N 4.654681 -2.814349 -0.746771
C 1.729911 -1.048259 1.109407
C 2.523511 -1.615395 -0.101675
C 0.366964 -0.516347 0.733955
C 3.939933 -2.063723 0.311934
C 0.004536 0.790551 0.372892
C -0.839885 -1.304489 0.700640
C -1.898583 -0.478694 0.330268
C 0.698704 2.070965 0.237891
C -3.328972 -0.684950 0.124888
C 5.882525 -3.453209 -0.229343
C 4.927915 -2.007060 -1.953195
C 2.116165 2.149881 0.105022
C -0.048411 3.286640 0.232563
C -3.911119 -1.967461 0.337791
C -4.169205 0.387195 -0.291069
C 2.759518 3.399665 -0.007198
C 0.599623 4.531102 0.111510
C 2.008813 4.598065 -0.003469
C -5.291387 -2.168949 0.141169
C -5.549529 0.179471 -0.485904
C -6.120042 -1.097560 -0.271458
H 1.605999 -1.857628 1.855219
H 2.327310 -0.259205 1.605751
H 1.985234 -2.482105 -0.529210
H 2.569370 -0.845936 -0.895727
H 4.525465 -1.163482 0.648801
H 3.854788 -2.732711 1.191558
H -0.902223 -2.365950 0.935437
H 5.629431 -4.114608 0.618640
H 6.652919 -2.719233 0.122581
H 6.341222 -4.073161 -1.020509
H 3.984828 -1.659690 -2.406901
H 5.448978 -2.631396 -2.700630
H 5.567442 -1.109244 -1.746538
H 2.716030 1.236988 0.060871
H -1.137131 3.238609 0.329245
H -3.281553 -2.805024 0.658495
H -3.727144 1.373860 -0.460041
H 3.849917 3.437329 -0.110268
H 0.006144 5.452340 0.110923
H 2.512065 5.566795 -0.094944
H -5.723362 -3.161781 0.309525
H -6.182623 1.014283 -0.806912
H -7.193102 -1.256739 -0.423814


