%chk=000146083.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146083

0 1
 O    3.178100     -0.6479000     -0.9940000    
 O    2.922900       2.047100     -0.1445000    
 O    2.755800       1.029400       1.914600    
 N   -3.983000      0.3940000      5.1399998E-02
 N   -5.288000       2.167300     -0.2957000    
 C   -1.908400      -2.849000      0.1384000    
 C   -2.901900      -1.817700      0.6905000    
 C  -0.5492000      -2.262700     -0.1107000    
 C  -0.4393000     -0.9071000     -0.4529000    
 C   -2.821200     -0.4396000      3.7700001E-02
 C   -1.641500     -6.1700001E-02 -0.5051000    
 C    3.915300     -0.1015000      9.8399997E-02
 C   0.8191000     -0.3716000     -0.7557000    
 C    1.956600      -1.179000     -0.7130000    
 C   0.5948000      -3.069700     -8.2999997E-02
 C    1.844600      -2.526300     -0.3769000    
 C    4.177800      -1.220600       1.104800    
 C    5.224700      0.4583000     -0.4484000    
 C    3.123600       1.031500      0.7458000    
 C   -5.208000      7.8900002E-02  0.5816000    
 C   -4.086200       1.661900     -0.4635000    
 C   -5.992100       1.185700      0.3557000    
 C    2.222000       3.186600      0.3641000    
 C    2.083300       4.213400     -0.7397000    
 H   -2.285100      -3.248500     -0.8120000    
 H   -1.842400      -3.687300      0.8422000    
 H   -2.738400      -1.689500       1.768800    
 H   -3.896100      -2.259600      0.5665000    
 H   -1.510500      0.9081000     -0.9734000    
 H   0.9050000      0.6715000      -1.048300    
 H   0.5165000      -4.126700      0.1580000    
 H    2.717400      -3.172700     -0.3667000    
 H    4.885500     -0.8855000       1.873100    
 H    3.278800      -1.536600       1.644600    
 H    4.611300      -2.102600      0.6205000    
 H    5.804500      0.9665000      0.3296000    
 H    5.841000     -0.3432000     -0.8721000    
 H    5.050500       1.169600      -1.264000    
 H   -5.432700     -0.8572000       1.071900    
 H   -3.272400       2.182100     -0.9497000    
 H   -7.026900       1.326600      0.6315000    
 H    1.228900       2.879700      0.7110000    
 H    2.783200       3.616500       1.201200    
 H    1.539100       3.791500      -1.591100    
 H    3.068200       4.515900      -1.110400    
 H    1.551300       5.100200     -0.3845000    


%chk=000146083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146083

0 1
O 3.224556 -0.693751 -0.972400
O 2.959510 2.048571 -0.012514
O 3.049185 1.024447 2.071593
N -4.038889 0.361944 -0.103779
N -5.498527 1.953828 -0.825978
C -2.032521 -2.843318 0.071350
C -3.006494 -1.805573 0.677702
C -0.624287 -2.291379 -0.103804
C -0.477766 -0.911113 -0.447673
C -2.875285 -0.463169 -0.029517
C -1.668087 -0.054901 -0.530131
C 4.095412 -0.106585 0.109850
C 0.814101 -0.386459 -0.707216
C 1.952118 -1.216136 -0.609275
C 0.522422 -3.107027 -0.026481
C 1.812867 -2.582939 -0.274834
C 4.520725 -1.185524 1.118566
C 5.284504 0.471800 -0.673961
C 3.319818 1.018022 0.848381
C -5.129752 0.355361 0.790291
C -4.321405 1.350095 -1.062597
C -6.003449 1.342081 0.337965
C 2.192045 3.178109 0.603770
C 1.945484 4.197960 -0.502401
H -2.419080 -3.148948 -0.924228
H -2.019625 -3.752765 0.699041
H -2.787150 -1.669984 1.757825
H -4.042409 -2.182448 0.599595
H -1.551250 0.949391 -0.954254
H 0.947824 0.660231 -1.000848
H 0.412195 -4.169549 0.221959
H 2.700905 -3.220978 -0.234734
H 5.190297 -0.751062 1.880647
H 3.650445 -1.607976 1.646521
H 5.056611 -1.989969 0.586193
H 6.012749 0.940891 0.011228
H 5.786426 -0.345097 -1.219974
H 4.933462 1.223961 -1.397055
H -5.168059 -0.301246 1.654366
H -3.674605 1.539576 -1.914879
H -6.954770 1.647946 0.766624
H 1.256050 2.767714 1.025178
H 2.790590 3.588728 1.436824
H 1.365225 3.755340 -1.330292
H 2.898340 4.575351 -0.910907
H 1.376045 5.055049 -0.099138


