%chk=000039332.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039332

0 1
 O   0.4934000       2.335700      0.5746000    
 N    2.216500      0.2065000      0.3060000    
 C   -6.107000      -1.922300     -0.4182000    
 C   -4.778700      -2.368300      0.1900000    
 C   -6.031200     -0.6520000      -1.263300    
 C   -4.214800      -1.396300       1.225800    
 C   -5.673400      0.6012000     -0.4653000    
 C   -3.510500     -0.2141000      0.6072000    
 C   -4.195700      0.7243000     -0.1867000    
 C   -2.134800     -4.1800000E-02  0.8390000    
 C   -3.487500       1.811100     -0.7283000    
 C   -1.445800       1.039800      0.2920000    
 C   -2.122400       1.966700     -0.4917000    
 C  -2.1800000E-02   1.198700      0.5413000    
 C   0.8547000     -4.3400001E-02  0.7658000    
 C    3.070400     -0.9523000      0.5715000    
 C    4.498500     -0.7013000      0.1662000    
 C    2.226600      0.5287000      -1.121700    
 C    4.908400      -1.015300      -1.122100    
 C    5.384800     -0.1590000       1.086400    
 C    6.231400     -0.7825000      -1.497700    
 C    6.707900      7.3799998E-02  0.7106000    
 C    7.131100     -0.2380000     -0.5815000    
 H   -6.850300      -1.790600      0.3779000    
 H   -6.480100      -2.734000      -1.055300    
 H   -4.046100      -2.557800     -0.6044000    
 H   -4.955100      -3.329800      0.6891000    
 H   -7.021900     -0.4976000      -1.709500    
 H   -5.331700     -0.7956000      -2.096200    
 H   -3.507000      -1.950100       1.856000    
 H   -5.000000      -1.041700       1.904700    
 H   -6.229800      0.6421000      0.4791000    
 H   -6.005200       1.473800      -1.042700    
 H   -1.616300     -0.7618000       1.468100    
 H   -3.997800       2.547800      -1.344600    
 H   -1.605600       2.815600     -0.9317000    
 H   0.4244000     -0.9017000      0.2357000    
 H   0.8449000     -0.2486000       1.842800    
 H    2.696600      -1.852600      6.3299999E-02
 H    3.051100      -1.190200       1.643700    
 H    1.516800       1.315900      -1.394700    
 H    1.983600     -0.3406000      -1.744800    
 H    3.191100      0.9407000      -1.434700    
 H    4.224400      -1.453800      -1.843000    
 H    5.065300      8.9500003E-02   2.094600    
 H    6.561900      -1.028400      -2.502600    
 H    7.408400      0.4982000       1.423800    
 H    8.161300     -5.7399999E-02 -0.8738000    


%chk=000039332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039332

0 1
O 0.503429 2.175135 -0.733717
N 2.315685 -0.002111 -0.592306
C -6.501845 -1.704235 -0.146760
C -5.094871 -2.331828 -0.290164
C -6.575830 -0.176315 -0.374731
C -4.051678 -1.818594 0.744837
C -5.757310 0.666965 0.646989
C -3.452114 -0.456911 0.419372
C -4.262713 0.719333 0.369898
C -2.068618 -0.348853 0.149757
C -3.650466 1.958394 0.048190
C -1.457486 0.893714 -0.171559
C -2.273465 2.053638 -0.220883
C 0.013226 1.046286 -0.444479
C 0.887441 -0.220497 -0.354111
C 3.163205 -1.106594 -0.089345
C 4.620710 -0.696242 0.115792
C 2.634567 0.379900 -1.984769
C 5.663376 -1.635707 -0.075397
C 4.946456 0.613386 0.549459
C 7.009024 -1.280803 0.175240
C 6.290289 0.972209 0.794557
C 7.326757 0.025734 0.612488
H -6.888302 -1.930216 0.869690
H -7.188934 -2.204164 -0.858560
H -4.707037 -2.162140 -1.314115
H -5.193814 -3.428662 -0.166390
H -7.637637 0.132720 -0.304585
H -6.241280 0.069989 -1.401709
H -3.231419 -2.557329 0.820220
H -4.539486 -1.792319 1.742325
H -5.939868 0.252884 1.661475
H -6.151328 1.700283 0.655561
H -1.464367 -1.262496 0.193940
H -4.271503 2.861559 0.011742
H -1.800915 3.010298 -0.466402
H 0.440090 -0.978799 -1.054329
H 0.755162 -0.634682 0.665715
H 3.130468 -2.006741 -0.757084
H 2.746897 -1.427074 0.887876
H 2.095816 1.303988 -2.242884
H 2.365923 -0.422091 -2.718694
H 3.716246 0.576045 -2.070420
H 5.422652 -2.648618 -0.423844
H 4.132034 1.336495 0.670432
H 7.806098 -2.017778 0.023143
H 6.530372 1.989116 1.126164
H 8.369365 0.304928 0.803077


