%chk=000100661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100661

0 1
 O   -1.062900       2.601300      0.7715000    
 O   -1.999400      -2.669000     -0.3248000    
 N   -2.428300      0.8461000      0.1639000    
 N   -2.571100     -0.4343000     -0.3617000    
 N   0.2751000     -0.4587000      0.7889000    
 C   -3.726100       1.510900      0.1613000    
 C   -3.800500     -0.4675000      -1.137800    
 C   -4.705100      0.4744000     -0.3645000    
 C  -6.6999998E-03  0.6487000     -0.1284000    
 C  -0.8912000      -1.226800       1.231200    
 C   -1.202800       1.459000      0.3328000    
 C   -1.855500      -1.521300      9.8099999E-02
 C    1.307000      -1.328300      0.2224000    
 C    2.594700     -0.5867000     -1.9600000E-02
 C    2.807000      3.3000000E-02  -1.243200    
 C    3.551700     -0.5335000      0.9841000    
 C    4.000200      0.7196000      -1.467700    
 C    4.744900      0.1533000      0.7597000    
 C    4.969100      0.7799000     -0.4662000    
 H   -3.661200       2.383800     -0.4973000    
 H   -3.967200       1.853300       1.172000    
 H   -4.204300      -1.481200      -1.206100    
 H   -3.579500     -9.0000004E-02  -2.142000    
 H   -5.161100     -5.8699999E-02  0.4789000    
 H   -5.507600      0.9034000     -0.9702000    
 H  -0.1866000      0.3187000      -1.159800    
 H   0.8257000       1.361100     -0.1447000    
 H   -1.422100     -0.6804000       2.020700    
 H  -0.5944000      -2.173100       1.700400    
 H   0.9675000      -1.799400     -0.7105000    
 H    1.520700      -2.158800      0.9091000    
 H    2.070300     -1.8200001E-02  -2.039700    
 H    3.386900      -1.015900       1.943400    
 H    4.176400       1.204300      -2.423500    
 H    5.499300      0.2007000       1.539600    
 H    5.898500       1.313900     -0.6412000    


%chk=000100661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100661

0 1
O -1.287377 2.621844 1.122289
O -2.156636 -2.678438 -0.550354
N -2.504382 0.814660 0.365898
N -2.610311 -0.406322 -0.372655
N 0.299491 -0.499504 0.650699
C -3.848950 1.427476 0.552551
C -3.873821 -0.367370 -1.139061
C -4.805673 0.457964 -0.204474
C -0.063432 0.786625 -0.015638
C -0.858261 -1.318470 1.096026
C -1.299529 1.490583 0.552534
C -1.929475 -1.568064 0.014893
C 1.291224 -1.258859 -0.156436
C 2.641210 -0.551779 -0.245297
C 3.380604 -0.571804 -1.452869
C 3.194991 0.094837 0.888650
C 4.657675 0.031411 -1.526853
C 4.466619 0.703982 0.815737
C 5.204904 0.671602 -0.391590
H -3.831558 2.446711 0.128578
H -4.094745 1.511794 1.624588
H -4.210027 -1.400057 -1.317716
H -3.718112 0.137753 -2.109609
H -5.310992 -0.215772 0.507791
H -5.575923 1.006264 -0.769536
H -0.257633 0.621946 -1.106990
H 0.779779 1.488718 0.076472
H -1.334223 -0.818767 1.960013
H -0.489705 -2.302722 1.425332
H 0.920361 -1.469042 -1.190451
H 1.425017 -2.240740 0.338178
H 2.957076 -1.062031 -2.338827
H 2.609315 0.123639 1.814656
H 5.219418 0.006772 -2.467613
H 4.882298 1.204780 1.697629
H 6.192180 1.143981 -0.447448


