%chk=000043167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043167

0 1
 O    1.326600       1.421600      -1.827200    
 O   -1.763200       2.123400       1.460900    
 O  -0.4892000       2.817600      -1.751700    
 O   0.2040000       3.271600       1.696200    
 N    4.071500     -0.4286000     -0.1484000    
 N   -3.770700     -0.8310000      0.4534000    
 C   5.0299998E-02   1.391600      0.1524000    
 C    1.441400      0.8545000      0.4330000    
 C   -1.030800      0.3231000      0.1637000    
 C    1.917200      0.4543000     -0.9483000    
 C   -2.259100       1.108000      0.5784000    
 C   0.2299000       1.981300      -1.226800    
 C  -0.4447000       2.370600       1.186700    
 C    3.427100      0.4835000      -1.093000    
 C   -3.294200      0.2640000       1.298100    
 C    5.533700     -0.3498000     -0.2737000    
 C    3.594000      -1.803200     -0.3540000    
 C   -4.682500      -1.702600       1.207600    
 C   -4.418900     -0.3031000     -0.7554000    
 C    6.224700      -1.261400      0.7415000    
 C    4.221600      -2.762500      0.6585000    
 C   -5.152000      -2.880900      0.3532000    
 C   -4.879700      -1.435900      -1.674100    
 C    5.744100      -2.702100      0.6100000    
 C   -5.801200      -2.404000     -0.9411000    
 H    1.459200      2.3100000E-02   1.144900    
 H    2.078100       1.647800      0.8463000    
 H  -0.7969000     -0.4446000      0.9122000    
 H   -1.171700     -0.1782000     -0.7998000    
 H    1.493300     -0.5061000      -1.259900    
 H   -2.692200       1.652500     -0.2669000    
 H    3.780900       1.509900     -0.9264000    
 H    3.696300      0.2446000      -2.131000    
 H   -4.121400      0.9047000       1.632900    
 H   -2.844300     -0.1363000       2.216900    
 H    5.867300      0.6788000     -9.0200000E-02
 H    5.854400     -0.6205000      -1.288400    
 H    3.811400      -2.146900      -1.373900    
 H    2.515400      -1.891900     -0.1975000    
 H   -5.553600      -1.139000       1.567400    
 H   -4.168200      -2.105000       2.088800    
 H   -3.731800      0.2965000      -1.358700    
 H   -5.274700      0.3341000     -0.4963000    
 H    6.021700     -0.8998000       1.757700    
 H    7.310300      -1.219400      0.5983000    
 H    3.886900      -3.786300      0.4563000    
 H    3.878200      -2.507300       1.669200    
 H   -5.864300      -3.489700      0.9214000    
 H   -4.296800      -3.526800      0.1166000    
 H   -4.005500      -1.980300      -2.053900    
 H   -5.399800      -1.019500      -2.544300    
 H    6.171000      -3.316000       1.410700    
 H    6.096900      -3.120300     -0.3407000    
 H   -6.750100      -1.903700     -0.7119000    
 H   -6.034800      -3.260500      -1.582800    


%chk=000043167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043167

0 1
O 1.427649 1.126088 -1.978292
O -1.699628 2.196709 1.189154
O -0.512801 2.396268 -2.025429
O 0.467530 2.915284 1.607868
N 4.288730 -0.630861 -0.254240
N -4.149017 -0.579268 0.430361
C 0.053337 1.031379 0.007608
C 1.408875 0.368897 0.325825
C -1.226335 0.143316 0.015501
C 2.074811 0.131524 -1.050715
C -2.356294 1.151043 0.321641
C 0.249015 1.629117 -1.413987
C -0.312361 2.159151 1.009178
C 3.591361 0.374528 -1.089254
C -3.538887 0.583529 1.118102
C 5.528795 -0.112255 0.383131
C 4.542572 -1.903649 -0.979836
C -4.982291 -1.388072 1.363092
C -4.924828 -0.186264 -0.779361
C 6.097971 -1.138736 1.382968
C 5.084504 -2.987214 -0.025411
C -5.505884 -2.664646 0.676651
C -5.453621 -1.425879 -1.529326
C 6.363673 -2.494230 0.689091
C -6.308398 -2.312036 -0.595973
H 1.305735 -0.566607 0.896069
H 2.021973 1.068445 0.922315
H -1.160707 -0.604984 0.826078
H -1.404871 -0.390875 -0.930423
H 1.822926 -0.865391 -1.457989
H -2.675815 1.679119 -0.592916
H 3.787521 1.384875 -0.685894
H 3.938512 0.370304 -2.149711
H -4.274943 1.402278 1.312704
H -3.156010 0.248676 2.100556
H 5.283110 0.830282 0.905821
H 6.311604 0.123380 -0.385291
H 5.278670 -1.744285 -1.812031
H 3.599778 -2.248174 -1.443889
H -5.854655 -0.790982 1.740267
H -4.361553 -1.653543 2.239315
H -4.273309 0.402055 -1.450549
H -5.788700 0.472373 -0.497292
H 5.365724 -1.277946 2.201707
H 7.028746 -0.738701 1.828733
H 5.288492 -3.912133 -0.598442
H 4.306773 -3.221971 0.726981
H -6.132771 -3.232578 1.390618
H -4.642748 -3.303313 0.405791
H -4.591431 -2.009886 -1.905890
H -6.043397 -1.096654 -2.406019
H 6.709944 -3.244457 1.424562
H 7.177104 -2.372878 -0.056173
H -7.230390 -1.764449 -0.310036
H -6.628686 -3.231805 -1.120423


