%chk=000021916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021916

0 1
 O   0.6671000      0.7477000     -0.5635000    
 N    4.054800       2.089900     -0.1262000    
 C   -2.199200       1.857200      0.9311000    
 C   -2.534300      0.7109000     -3.7500001E-02
 C   -1.563300     -0.2042000     -0.3598000    
 C  -0.1786000     -0.1353000      0.1954000    
 C   -3.444800       2.746600       1.134000    
 C   -1.054000       2.712800      0.3473000    
 C   -1.745500       1.381300       2.329800    
 C   -3.811900      0.6605000     -0.5403000    
 C   -1.889200      -1.235700      -1.240400    
 C   0.4989000      -1.494100      0.3248000    
 C   -4.137900     -0.3710000      -1.420900    
 C   -3.176600      -1.319100      -1.770900    
 C    1.918000      0.9195000      7.4699998E-02
 C    2.781500       1.854600     -0.7522000    
 C   0.2482000      -2.258500       1.444900    
 C    1.341500      -1.916000     -0.6821000    
 C   0.8687000      -3.502200       1.563600    
 C    1.961800      -3.159700     -0.5635000    
 C    1.725500      -3.952800      0.5594000    
 C    4.869800       3.032400     -0.9084000    
 C    4.799500      0.8351000      6.0899999E-02
 H  -0.1664000      0.2191000       1.215300    
 H   -4.278500       2.208700       1.601600    
 H   -3.779400       3.223400      0.2043000    
 H   -3.210500       3.577200       1.813900    
 H   -1.004400       2.668800     -0.7466000    
 H   -1.224100       3.771500      0.5873000    
 H  -7.4500002E-02   2.517200      0.7773000    
 H  -0.6852000       1.539300       2.552500    
 H   -1.998500      0.3302000       2.512200    
 H   -2.261300       1.944200       3.119300    
 H   -4.616700       1.349100     -0.3231000    
 H   -1.178600      -1.987800      -1.563400    
 H   -5.139700     -0.4369000      -1.835600    
 H   -3.429900      -2.119300      -2.460300    
 H    1.769500       1.355000       1.071500    
 H    2.442000     -2.1600001E-02  0.2168000    
 H    2.891700       1.444300      -1.765500    
 H    2.236700       2.800100     -0.8752000    
 H  -0.4189000      -1.917300       2.230700    
 H    1.518800      -1.336600      -1.583200    
 H   0.6838000      -4.120200       2.437400    
 H    2.623000      -3.514100      -1.348900    
 H    2.207100      -4.921900      0.6508000    
 H    4.341600       3.984500      -1.030300    
 H    5.110500       2.639600      -1.903000    
 H    5.806100       3.258000     -0.3860000    
 H    5.827000       1.045900      0.3820000    
 H    4.853300      0.2410000     -0.8586000    
 H    4.375800      0.2263000      0.8655000    


%chk=000021916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021916

0 1
O 0.888820 0.558996 -0.641298
N 4.265574 2.176900 -0.501976
C -2.352793 1.820095 1.157950
C -2.465320 0.781407 -0.000362
C -1.418010 -0.125153 -0.388752
C -0.024715 -0.188268 0.259492
C -3.630188 2.701440 1.286437
C -1.174772 2.810196 0.898314
C -2.198969 1.102908 2.538157
C -3.680888 0.710328 -0.736335
C -1.631386 -1.018366 -1.470488
C 0.474533 -1.621011 0.500402
C -3.878513 -0.180900 -1.811727
C -2.840101 -1.054175 -2.190868
C 2.163663 0.927749 0.006145
C 2.958093 1.726528 -1.036518
C 0.032943 -2.339410 1.639234
C 1.364537 -2.252299 -0.403306
C 0.464708 -3.664613 1.867909
C 1.801936 -3.576215 -0.175328
C 1.352424 -4.288798 0.960170
C 4.790155 3.359240 -1.215391
C 5.268967 1.094010 -0.433988
H -0.033765 0.327026 1.237488
H -4.524404 2.109320 1.555295
H -3.842565 3.260122 0.356914
H -3.470302 3.443557 2.090342
H -1.396158 3.432897 0.012143
H -1.048283 3.480801 1.769604
H -0.217654 2.306832 0.700309
H -1.259750 0.534511 2.637310
H -3.037271 0.400469 2.700312
H -2.216251 1.852939 3.351514
H -4.507176 1.373171 -0.470837
H -0.826402 -1.706937 -1.744340
H -4.837251 -0.188380 -2.342992
H -2.968601 -1.754028 -3.023794
H 1.978217 1.558367 0.901480
H 2.706435 0.016647 0.328868
H 3.065016 1.109307 -1.963867
H 2.362345 2.616350 -1.309144
H -0.660766 -1.865830 2.345349
H 1.708226 -1.691150 -1.280017
H 0.112003 -4.208751 2.751513
H 2.490804 -4.051599 -0.883141
H 1.690345 -5.316022 1.137634
H 4.052922 4.180138 -1.170773
H 5.026375 3.162782 -2.292649
H 5.717375 3.706092 -0.724136
H 6.187074 1.471205 0.050932
H 5.548388 0.693603 -1.442696
H 4.890671 0.253575 0.172405


