%chk=000040748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040748

0 1
 O   -2.906700       2.653700      0.1075000    
 N   7.6300003E-02  0.8743000      0.3008000    
 N   0.6796000      -1.870400      0.2933000    
 C    1.396600      0.4522000      0.3961000    
 C  -0.9221000     -5.2600000E-02  0.1905000    
 C   -2.173000      0.3800000      8.5299999E-02
 C    2.485100       1.493700      0.4962000    
 C    1.664600     -0.8841000      0.3857000    
 C  -0.5025000       2.209000      0.2835000    
 C   -3.369500     -0.4854000     -3.8199998E-02
 C    3.430800       1.493200     -0.7062000    
 C    3.072000      -1.425900      0.4647000    
 C    4.487100      0.3900000     -0.6620000    
 C    3.940300      -1.035000     -0.7317000    
 C  -0.5567000      -1.475000      0.2007000    
 C   -1.990400       1.848000      0.1510000    
 C   -2.969700      -1.955100      5.7999999E-03
 C   -1.709300      -2.415700      0.1075000    
 C   -4.132500     -0.1950000      -1.330600    
 H    2.046800       2.495100      0.5726000    
 H    3.046200       1.356100       1.429100    
 H  -0.1789000       2.783200     -0.5888000    
 H  -0.3312000       2.740000       1.223700    
 H   -4.032500     -0.2936000      0.8143000    
 H    2.862900       1.432600      -1.642900    
 H    3.958200       2.455500     -0.7249000    
 H    3.542200      -1.117500       1.406700    
 H    3.028800      -2.522600      0.5033000    
 H    5.095200      0.5032000      0.2443000    
 H    5.169200      0.5360000      -1.508800    
 H    4.798400      -1.718100     -0.7671000    
 H    3.389900      -1.179500      -1.669900    
 H   -3.777700      -2.681600     -4.6100002E-02
 H   -1.499400      -3.479000      0.1312000    
 H   -5.014700     -0.8395000      -1.417800    
 H   -4.481900      0.8430000      -1.358900    
 H   -3.508100     -0.3622000      -2.216400    


%chk=000040748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040748

0 1
O -2.968920 2.775631 0.078996
N 0.091876 0.826830 0.292248
N 0.706652 -1.918660 0.296404
C 1.425506 0.442041 0.392998
C -0.929383 -0.123075 0.192371
C -2.208456 0.419269 0.099647
C 2.488207 1.514067 0.479008
C 1.704890 -0.939543 0.389330
C -0.542885 2.170703 0.274186
C -3.419364 -0.479743 -0.033010
C 3.481135 1.516988 -0.721849
C 3.129248 -1.458444 0.469571
C 4.561620 0.411262 -0.658958
C 4.040937 -1.044711 -0.719049
C -0.576510 -1.517643 0.200919
C -2.087089 1.860592 0.140671
C -3.001425 -1.950622 0.009586
C -1.716821 -2.428440 0.102579
C -4.238117 -0.172926 -1.327337
H 2.005611 2.504899 0.552115
H 3.070566 1.377674 1.412623
H -0.194908 2.772109 -0.583205
H -0.346037 2.721823 1.210031
H -4.113476 -0.296608 0.817517
H 2.911947 1.438293 -1.668774
H 3.990366 2.500549 -0.737254
H 3.612425 -1.135442 1.416255
H 3.050601 -2.558455 0.508537
H 5.144689 0.541219 0.277412
H 5.274834 0.570469 -1.492003
H 4.918228 -1.721076 -0.732869
H 3.496733 -1.214261 -1.668997
H -3.826033 -2.673609 -0.063362
H -1.508180 -3.503315 0.108866
H -5.146783 -0.801140 -1.378836
H -4.540649 0.888363 -1.325422
H -3.627635 -0.364068 -2.227447


