%chk=000123513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123513

0 1
 O    3.276800       1.366100     -0.3893000    
 N    3.446900     -0.8577000      0.2497000    
 N    4.828100     -0.8277000      0.2601000    
 C   -2.993400     -0.1114000      2.7799999E-02
 C   -1.459800     -3.8999999E-03 -4.0000002E-03
 C   -3.600300      0.7943000      -1.065600    
 C   -3.517400      0.3389000       1.408700    
 C   -3.525000      -1.541700     -0.2175000    
 C  -0.8893000       1.226800      0.2045000    
 C  -0.7313000      -1.143000     -0.2381000    
 C   0.5019000       1.324800      0.1768000    
 C   0.6598000      -1.045100     -0.2657000    
 C    1.276400      0.1888000     -5.8300000E-02
 C    2.726900      0.2908000     -8.9100003E-02
 H   -4.692600      0.7025000      -1.092300    
 H   -3.374800       1.853900     -0.9037000    
 H   -3.219600      0.5243000      -2.057800    
 H   -3.290700       1.389500       1.620000    
 H   -4.606700      0.2302000       1.471800    
 H   -3.076200     -0.2616000       2.213200    
 H   -4.621600      -1.560000     -0.1831000    
 H   -3.237700      -1.923000      -1.204600    
 H   -3.177100      -2.246000      0.5473000    
 H   -1.471200       2.123000      0.3901000    
 H   -1.157300      -2.122900     -0.4115000    
 H   0.9630000       2.294700      0.3449000    
 H    1.224600      -1.947500     -0.4809000    
 H    3.006300      -1.720300      0.5517000    
 H    5.121800      -1.081000       1.202600    
 H    5.144100      -1.583700     -0.3459000    


%chk=000123513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123513

0 1
O 3.423207 1.247316 -0.146690
N 3.544513 -1.031908 0.264954
N 4.965652 -1.049043 0.315464
C -3.090936 -0.101641 0.017739
C -1.544813 -0.090512 0.014558
C -3.612807 0.846894 -1.104568
C -3.605898 0.405057 1.399626
C -3.673915 -1.516552 -0.231002
C -0.844737 1.130853 0.228678
C -0.767644 -1.255929 -0.208977
C 0.559805 1.184603 0.228429
C 0.644058 -1.211141 -0.207011
C 1.326718 0.009384 0.021751
C 2.824247 0.139502 0.029373
H -4.718887 0.861726 -1.105214
H -3.260002 1.883691 -0.961230
H -3.269624 0.506917 -2.098703
H -3.252172 1.428437 1.617744
H -4.711868 0.418747 1.409664
H -3.259700 -0.254527 2.216278
H -4.778046 -1.469165 -0.213711
H -3.373299 -1.917325 -1.216819
H -3.358675 -2.234027 0.549200
H -1.407324 2.056541 0.395237
H -1.260684 -2.213630 -0.398474
H 1.092984 2.129049 0.379248
H 1.199301 -2.131521 -0.425938
H 3.090146 -1.891051 0.573881
H 5.301396 -0.305263 0.946535
H 5.353603 -0.903381 -0.628223


