%chk=000023602.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023602

1 1
 O  -0.7128000      0.9187000     -8.0300003E-02
 N    4.032300      0.8338000     -2.0600000E-02
 N  -0.6587000      -1.941800      0.1357000    
 N   -5.504600      0.8931000     -0.1234000    
 C    2.940100      0.1556000      1.8600000E-02
 C    2.924800      -1.329300      0.1318000    
 C    5.358600      0.1703000      4.4599999E-02
 C    4.021100       2.313900     -0.1330000    
 C   0.4817000      0.2191000     -1.4100000E-02
 C    1.646800      0.8713000     -5.0200000E-02
 C   0.4455000      -1.260700      9.6799999E-02
 C    1.746100      -1.965900      0.1660000    
 C   -1.871900      0.1820000     -3.6300000E-02
 C   -1.857900      -1.213800      6.8499997E-02
 C    4.220300      -2.083900      0.2055000    
 C    5.809600     -0.1830000      -1.356400    
 C    3.976300       2.919800       1.253400    
 C   -4.283600      0.1901000     -5.8400001E-02
 C   -3.076200      0.8847000     -9.9399999E-02
 C   -3.076700      -1.898800      0.1085000    
 C   -4.284200      -1.200100      4.5400001E-02
 C   -5.588500       2.154300     -0.8330000    
 C   -6.687900      0.3706000      0.5302000    
 H    6.054200      0.9698000      0.3472000    
 H    5.512700     -0.4677000      0.9051000    
 H    4.955900       2.613200     -0.6232000    
 H    3.238800       2.669700     -0.8077000    
 H    1.581200       1.950000     -0.1030000    
 H    1.696200      -3.047800      0.2487000    
 H    4.852400      -2.107400     -0.6710000    
 H    3.942300      -3.153600      0.2220000    
 H    4.710200      -2.030000       1.180800    
 H    6.666800     -0.8638000      -1.322000    
 H    5.032100     -0.6112000      -1.998200    
 H    6.154600      0.7187000      -1.879500    
 H    3.063500       2.649700       1.794300    
 H    4.828800       2.599600       1.862900    
 H    4.010500       4.012000       1.184700    
 H   -3.045100       1.968600     -0.1682000    
 H   -3.093200      -2.983300      0.1870000    
 H   -5.207200      -1.772600      6.7500003E-02
 H   -5.193900       2.971600     -0.2202000    
 H   -6.627500       2.399900      -1.079900    
 H   -5.040300       2.118800      -1.781300    
 H   -7.438400       1.155600      0.6761000    
 H   -6.454200     -2.9300001E-02   1.523400    
 H   -7.149600     -0.4171000     -7.4500002E-02


%chk=000023602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023602

1 1
O -0.718643 0.806597 -0.109881
N 4.091673 0.754366 -0.152607
N -0.796758 -2.054255 0.226731
N -5.554419 0.944646 -0.002735
C 2.928348 0.009931 -0.067506
C 2.880961 -1.461263 0.063740
C 5.454830 0.311917 0.265019
C 4.050818 2.205103 -0.510372
C 0.465422 0.051936 -0.052314
C 1.673033 0.719246 -0.144514
C 0.386602 -1.379190 0.123068
C 1.634329 -2.079119 0.159849
C -1.946284 0.129564 0.002629
C -1.945672 -1.310700 0.167924
C 4.087682 -2.389863 0.025599
C 6.439264 0.099298 -0.905248
C 3.844226 3.142266 0.701536
C -4.380852 0.228099 0.053157
C -3.108495 0.886978 -0.053966
C -3.226778 -1.947689 0.273823
C -4.402067 -1.214734 0.220014
C -5.526436 2.413357 -0.171329
C -6.865255 0.263715 0.097623
H 5.850134 1.105914 0.928136
H 5.376183 -0.589749 0.882670
H 5.018538 2.439083 -0.986308
H 3.281562 2.369981 -1.283175
H 1.639055 1.804426 -0.237190
H 1.572355 -3.168648 0.243363
H 4.824213 -2.100969 -0.740405
H 3.753196 -3.411417 -0.217013
H 4.610390 -2.453538 0.998088
H 7.421217 -0.207607 -0.503775
H 6.092639 -0.682341 -1.601963
H 6.595271 1.023944 -1.487841
H 2.884184 2.961622 1.214086
H 4.651831 3.020664 1.444832
H 3.860825 4.192780 0.361691
H -3.024744 1.967367 -0.182770
H -3.238381 -3.034081 0.399850
H -5.356509 -1.737532 0.305845
H -4.987192 2.900891 0.662122
H -6.555245 2.799224 -0.183774
H -5.041011 2.696638 -1.124039
H -7.667030 1.011308 0.019939
H -6.975244 -0.255842 1.067178
H -7.000764 -0.468923 -0.718886


