%chk=000039648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039648

0 1
 O   -1.691300      -2.398200       1.336700    
 N   -2.082400     -0.3345000      0.3107000    
 N  -0.4316000       2.942600     -0.4094000    
 C   -1.562000      0.7754000     -0.4846000    
 C  -0.9699000       1.859700      0.4037000    
 C   -3.477400     -0.2225000      0.7128000    
 C   -4.428400     -0.8395000     -0.3075000    
 C  -0.3181000       4.172100      0.3777000    
 C   0.8726000       2.573200     -0.9633000    
 C   -1.287000      -1.439800      0.6649000    
 C   -5.897400     -0.6995000      9.8300003E-02
 C   9.3900003E-02  -1.487400      0.2117000    
 C   0.6552000       3.997700       1.531200    
 C    1.414800       3.667200      -1.867500    
 C   -6.823600      -1.269100     -0.9649000    
 C    1.105800     -0.9377000      0.9992000    
 C   0.4054000      -2.082400      -1.007200    
 C    2.444300     -0.9760000      0.5758000    
 C    2.761100      -1.581100     -0.6637000    
 C    1.729800      -2.129800      -1.443300    
 C    3.475500     -0.4276000       1.355800    
 C    4.099600      -1.619400      -1.087000    
 C    4.799900     -0.4745000      0.9196000    
 C    5.111300      -1.069200     -0.2995000    
 H  -0.8330000      0.3881000      -1.198500    
 H   -2.381200       1.183800      -1.090200    
 H  -0.2239000       1.441500       1.084900    
 H   -1.781600       2.235100       1.041300    
 H   -3.599100     -0.7437000       1.669900    
 H   -3.720400      0.8313000      0.8889000    
 H   -4.184300      -1.900900     -0.4416000    
 H   -4.275600     -0.3632000      -1.284000    
 H  -3.6800001E-02   5.031800     -0.2397000    
 H   -1.305000       4.438500      0.7782000    
 H    1.616300       2.293500     -0.2089000    
 H   0.7604000       1.690800      -1.603000    
 H   -6.139800      0.3577000      0.2562000    
 H   -6.070900      -1.218700       1.047800    
 H   0.3859000       3.188600       2.215500    
 H    1.691600       3.863700       1.209600    
 H   0.6466000       4.914700       2.133100    
 H   0.6612000       4.011200      -2.584400    
 H    1.790500       4.528700      -1.307400    
 H    2.259700       3.277800      -2.446800    
 H   -6.625400      -2.333200      -1.128200    
 H   -7.867700      -1.161500     -0.6548000    
 H   -6.696700     -0.7453000      -1.917700    
 H   0.8542000     -0.4855000       1.957200    
 H  -0.3754000      -2.513400      -1.628600    
 H    1.950000      -2.599500      -2.399700    
 H    3.254900      4.3200001E-02   2.311600    
 H    4.366100      -2.079200      -2.036400    
 H    5.587900     -4.6200000E-02   1.532100    
 H    6.142400      -1.105200     -0.6386000    


%chk=000039648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039648

0 1
O -1.606850 -1.942131 1.590021
N -1.937402 -0.131172 0.162218
N -0.445134 3.334876 -0.407153
C -1.403049 1.034452 -0.579009
C -0.995035 2.200360 0.365644
C -3.355012 -0.062943 0.603155
C -4.276901 -0.962806 -0.250363
C -0.883452 4.674136 0.058062
C 1.007207 3.196372 -0.687125
C -1.154465 -1.154389 0.692792
C -5.751081 -0.889549 0.206994
C 0.246907 -1.343290 0.157939
C -0.325808 5.143533 1.430584
C 1.499452 4.108740 -1.825641
C -6.679593 -1.787614 -0.638620
C 1.300571 -1.502832 1.064623
C 0.499141 -1.494073 -1.249418
C 2.633719 -1.769612 0.615620
C 2.885468 -1.904678 -0.806011
C 1.783648 -1.773167 -1.715043
C 3.728630 -1.917383 1.531453
C 4.219331 -2.179172 -1.254570
C 5.018015 -2.183566 1.065479
C 5.265884 -2.314800 -0.339185
H -0.528897 0.735688 -1.176813
H -2.172039 1.399422 -1.283266
H -0.276623 1.804967 1.123468
H -1.888516 2.540503 0.922870
H -3.409949 -0.383097 1.659719
H -3.685860 0.990685 0.539229
H -3.915244 -2.005919 -0.175597
H -4.201115 -0.665792 -1.316404
H -0.615780 5.415835 -0.717313
H -1.989651 4.661986 0.100859
H 1.626713 3.374049 0.227452
H 1.188673 2.143987 -0.976308
H -6.104370 0.161257 0.154712
H -5.816074 -1.189629 1.272456
H -0.596290 4.437449 2.237381
H 0.775223 5.237510 1.413931
H -0.743344 6.133657 1.692598
H 0.890505 3.949270 -2.733133
H 1.443813 5.178794 -1.555833
H 2.554666 3.881667 -2.064286
H -6.364985 -2.846247 -0.579105
H -7.727503 -1.726085 -0.291890
H -6.657432 -1.490428 -1.704173
H 1.094014 -1.439708 2.139215
H -0.338041 -1.425614 -1.953629
H 1.962864 -1.904239 -2.788911
H 3.536190 -1.821147 2.606646
H 4.406843 -2.283211 -2.330133
H 5.847022 -2.295877 1.772741
H 6.281995 -2.524824 -0.690929


