%chk=000015972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015972

0 1
 O   -3.332800      -1.803800      2.4900001E-02
 O  -0.2972000       1.655000     -0.4497000    
 O    1.207800      -2.690000      5.7900000E-02
 N   -1.852700     -4.1800000E-02 -0.2154000    
 N   -1.071900      -2.295500      4.7800001E-02
 N   0.5024000     -0.5014000     -0.1982000    
 C   -5.827200      0.6974000      0.9768000    
 C    3.038300       2.752200      0.5772000    
 C    4.432400      -1.273400       1.047500    
 C   -4.322900     -0.8752000     -7.2400004E-02
 C    1.026400       2.033100     -0.5181000    
 C    2.487100      -2.184200     -2.5400000E-02
 C   -4.811300     -0.2534000       1.076600    
 C    1.699100       2.368100      0.6468000    
 C    3.138100      -1.786700       1.132200    
 C   -6.355100       1.026100     -0.2720000    
 C    3.688300       2.796900     -0.6563000    
 C    5.059800      -1.163700     -0.1936000    
 C   -4.850100     -0.5463000      -1.321300    
 C    1.659500       2.072500      -1.750800    
 C    3.098400      -2.081400      -1.265400    
 C   -5.866200      0.4043000      -1.421100    
 C    2.998800       2.456800      -1.820400    
 C    4.392700      -1.567900      -1.350100    
 C   -6.350800       1.362100       2.204700    
 C    3.775900       3.116500       1.820900    
 C    5.146000     -0.8405000       2.283300    
 C   -2.023300      -1.359200     -5.1199999E-02
 C  -0.5600000      0.3157000     -0.2808000    
 C   0.1701000      -1.792100     -3.4600001E-02
 H   -4.396800     -0.5128000       2.047900    
 H    1.185100       2.333500       1.603700    
 H    2.643400      -1.876700       2.095700    
 H   -7.145600       1.766200     -0.3631000    
 H    4.731000       3.095200     -0.7237000    
 H    6.067900     -0.7655000     -0.2726000    
 H   -4.475300      -1.027400      -2.220800    
 H    1.126300       1.809200      -2.659700    
 H    2.582600      -2.394900      -2.168500    
 H   -6.276600      0.6604000      -2.393500    
 H    3.504800       2.490500      -2.780800    
 H    4.880500      -1.482000      -2.316600    
 H   -6.293200      0.6936000       3.070500    
 H   -5.770700       2.265100       2.419200    
 H   -7.403100       1.641300       2.085600    
 H    4.842400       2.883400       1.730500    
 H    3.666000       4.186300       2.023900    
 H    3.398600       2.554200       2.681900    
 H    4.442200     -0.4625000       3.032800    
 H    5.699100      -1.681600       2.712600    
 H    5.850300     -2.9200001E-02   2.069500    


%chk=000015972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015972

0 1
O -3.108220 -1.580124 0.379989
O -0.245793 2.094183 0.005664
O 1.372729 -2.344531 0.447537
N -1.706503 0.334988 0.170764
N -0.863637 -1.934678 0.414735
N 0.681968 -0.074415 0.205312
C -5.953252 0.925778 0.095273
C 2.619375 4.412597 0.539785
C 4.903264 -3.393506 0.469068
C -4.384605 -0.932372 0.296732
C 1.055673 2.677919 -0.178295
C 2.792214 -2.148154 0.407260
C -4.614731 0.452294 0.161662
C 1.400800 3.706415 0.714263
C 3.488756 -3.372583 0.486757
C -7.022777 0.000722 0.164075
C 3.459231 4.051275 -0.544090
C 5.594141 -2.157317 0.374397
C -5.446150 -1.862773 0.368016
C 1.874559 2.319875 -1.268104
C 3.468195 -0.911026 0.310905
C -6.768481 -1.385216 0.300314
C 3.088766 3.018717 -1.437757
C 4.881340 -0.940793 0.296587
C -6.212051 2.416850 -0.043155
C 2.996766 5.535928 1.489223
C 5.653373 -4.712441 0.540038
C -1.865277 -1.014268 0.317791
C -0.407591 0.730678 0.123794
C 0.385057 -1.402503 0.350875
H -3.771704 1.142507 0.107233
H 0.718543 3.950861 1.535282
H 2.909271 -4.298524 0.562494
H -8.055765 0.363248 0.111050
H 4.405536 4.584164 -0.692221
H 6.690179 -2.151241 0.363142
H -5.215450 -2.926525 0.471989
H 1.578992 1.522374 -1.954665
H 2.916183 0.026013 0.251861
H -7.601958 -2.093813 0.352359
H 3.746003 2.758056 -2.274296
H 5.425724 0.007594 0.226037
H -5.858144 2.967294 0.848882
H -5.678056 2.837065 -0.915217
H -7.287537 2.630325 -0.166772
H 4.041380 5.857050 1.338415
H 2.349286 6.420458 1.336943
H 2.883803 5.228077 2.544641
H 5.308485 -5.327944 1.390942
H 5.497647 -5.310206 -0.378028
H 6.738946 -4.551850 0.654813


