%chk=000099732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099732

0 1
 O  -4.3499999E-02  -1.356100       1.571300    
 N    1.204200      0.4324000      0.7739000    
 C   -1.133900      0.1057000      6.4800002E-02
 C   -2.004300      -1.095700     -0.3522000    
 C   -1.919900       1.111200      0.9131000    
 C   -3.302600     -0.6240000      -1.027000    
 C   -3.202400       1.560300      0.2227000    
 C   -4.071200      0.3689000     -0.1610000    
 C   4.8999999E-02 -0.3448000      0.8707000    
 C   -1.250600      -2.039100      -1.295500    
 C    1.342400       1.637100     -4.9300000E-02
 C    2.421900     -1.8100001E-02   1.440600    
 C    1.999200       1.358600      -1.398400    
 C    3.214300      -1.030400      0.6190000    
 C    3.380300      0.7009000      -1.307300    
 C    3.317300     -0.7672000     -0.8854000    
 H  -0.8120000      0.5855000     -0.8646000    
 H   -2.288300      -1.672300      0.5389000    
 H   -1.314900       1.991800       1.154800    
 H   -2.178500      0.6558000       1.879100    
 H   -3.945600      -1.486000      -1.241900    
 H   -3.071100     -0.1545000      -1.991900    
 H   -2.952100       2.138500     -0.6752000    
 H   -3.764500       2.227100      0.8863000    
 H   -4.426600     -0.1346000      0.7464000    
 H   -4.958300      0.7186000     -0.7009000    
 H  -0.3623000      -2.465800     -0.8200000    
 H   -1.891200      -2.874500      -1.598200    
 H  -0.9283000      -1.517100      -2.203200    
 H    1.941800       2.362700      0.5143000    
 H   0.3815000       2.125600     -0.2159000    
 H    2.153800     -0.4761000       2.400200    
 H    3.043200      0.8531000       1.678400    
 H    2.104800       2.313300      -1.928300    
 H    1.338800      0.7342000      -2.012400    
 H    2.774900      -2.027200      0.7540000    
 H    4.224500      -1.092800       1.043000    
 H    4.044800       1.271500     -0.6487000    
 H    3.825600      0.7404000      -2.309600    
 H    2.475700      -1.255600      -1.393300    
 H    4.217800      -1.277500      -1.250300    


%chk=000099732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099732

0 1
O 0.049504 -1.282852 1.603547
N 1.235844 0.508539 0.740378
C -1.179924 0.183095 0.072853
C -1.986132 -1.054425 -0.420996
C -2.038656 1.084278 1.012928
C -3.321767 -0.601213 -1.064560
C -3.365391 1.514611 0.349194
C -4.170744 0.283003 -0.123094
C 0.078831 -0.257986 0.842219
C -1.163765 -1.912637 -1.407570
C 1.427005 1.678167 -0.145779
C 2.439865 0.052614 1.475507
C 2.100887 1.331061 -1.495022
C 3.254876 -1.036999 0.726242
C 3.434324 0.546884 -1.373963
C 3.265783 -0.895861 -0.819651
H -0.904431 0.772947 -0.825382
H -2.207387 -1.671485 0.472867
H -1.453998 1.975404 1.317724
H -2.252861 0.511404 1.937227
H -3.898513 -1.497386 -1.368290
H -3.102389 -0.036463 -1.996833
H -3.150232 2.166774 -0.523316
H -3.961676 2.117701 1.061442
H -4.478484 -0.312260 0.761171
H -5.099458 0.603997 -0.633987
H -0.247233 -2.300111 -0.928554
H -1.754023 -2.780635 -1.756409
H -0.873965 -1.324049 -2.301492
H 2.060741 2.405285 0.400232
H 0.460120 2.178222 -0.323131
H 2.115738 -0.343154 2.453453
H 3.067331 0.946107 1.650711
H 2.274763 2.280891 -2.041629
H 1.396757 0.732274 -2.107924
H 2.845364 -2.030733 0.984446
H 4.293691 -1.004133 1.112180
H 4.155507 1.115257 -0.750016
H 3.882571 0.489400 -2.385370
H 2.324865 -1.315737 -1.228523
H 4.080360 -1.535998 -1.211831


