%chk=000123985.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123985

0 1
 O  -0.9417000       3.073000      0.5167000    
 O  -0.2032000      0.5195000       1.558600    
 O   -4.180900       3.360100     -0.6395000    
 O  -0.4154000      -1.030500      -2.094600    
 O   -2.595900       4.994500     -0.8475000    
 N   -1.842700     -0.3008000      0.1216000    
 N   0.7005000      -2.582200     -0.7756000    
 N    4.167100      0.3798000      0.2670000    
 N    6.348100       1.190400      0.8637000    
 N    4.655700       2.642100      0.3909000    
 C   -1.860600       2.014300      0.8156000    
 C   -1.918300       2.761300     -0.4852000    
 C   -1.381300      -1.662200      3.7999999E-02
 C   -2.522500      -2.645300     -0.2526000    
 C   -3.660300      -2.641900      0.7887000    
 C   -1.210200      0.6721000      0.8772000    
 C  -0.3417000      -1.716400      -1.077100    
 C   -2.909400       3.826300     -0.6756000    
 C   -4.793400      -3.599200      0.4168000    
 C   -3.101400      -3.014200       2.164800    
 C    1.841200      -2.780900      -1.640500    
 C    2.980300      -1.814100      -1.332400    
 C    3.513900      -1.971600      9.6600004E-02
 C    4.645400     -0.9967000      0.4052000    
 C    5.026600       1.322500      0.4992000    
 H   -2.606800       2.213000       1.575200    
 H   -1.555900       2.280200      -1.385500    
 H  -0.8876000      -1.912800      0.9834000    
 H   -2.954400      -2.412400      -1.235800    
 H   -2.110400      -3.659400     -0.3416000    
 H   -4.090100      -1.634800      0.8518000    
 H   -2.645500     -3.3799998E-02 -0.4415000    
 H   -5.217800      -3.333700     -0.5571000    
 H   -5.599800      -3.557700       1.156300    
 H   -4.436100      -4.632900      0.3598000    
 H   -2.424100      -2.245400       2.548200    
 H   -3.911600      -3.112800       2.896000    
 H   -2.561700      -3.966800       2.133500    
 H   0.6734000      -3.111300      9.0899996E-02
 H    1.523900      -2.656800      -2.681600    
 H    2.171600      -3.816800      -1.509800    
 H    3.795000      -1.986200      -2.045800    
 H    2.626700     -0.7879000      -1.489000    
 H    2.703100      -1.808000      0.8169000    
 H    3.873900      -2.996900      0.2425000    
 H   -4.838100       4.076900     -0.7679000    
 H    5.478900      -1.185600     -0.2822000    
 H    4.990600      -1.178700       1.430100    
 H    6.930700       2.005800       1.020900    
 H    6.786800      0.2854000      0.9897000    
 H    5.312900       3.394000      0.5673000    
 H    3.710500       2.900500      0.1289000    


%chk=000123985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123985

0 1
O -0.192501 2.669081 0.828125
O -1.386110 0.063140 2.373033
O -1.691616 4.046693 -2.180844
O -0.417845 -1.393274 -2.157837
O -2.182392 4.777102 -0.020256
N -1.515607 -0.340977 0.073810
N 0.759012 -2.932663 -0.860058
N 3.419340 0.279151 0.120047
N 5.095125 1.814058 0.976663
N 2.814258 2.338254 1.093282
C -1.530768 1.970774 0.901686
C -1.080111 2.610035 -0.390553
C -1.209993 -1.782327 0.124016
C -2.473172 -2.676203 -0.027533
C -3.517045 -2.532804 1.110638
C -1.471313 0.476572 1.175243
C -0.246286 -2.023058 -1.062186
C -1.700325 3.920160 -0.789093
C -4.799423 -3.312715 0.733715
C -2.962606 -3.005412 2.475862
C 1.838363 -3.126378 -1.854831
C 2.928871 -2.035731 -1.730650
C 3.734078 -2.099542 -0.414338
C 4.443451 -0.761072 -0.105674
C 3.775317 1.411596 0.690376
H -2.247653 2.526153 1.519282
H -0.673555 2.009289 -1.211194
H -0.718865 -1.980151 1.094003
H -2.944745 -2.435572 -1.001375
H -2.143884 -3.734799 -0.084549
H -3.777968 -1.458355 1.201032
H -1.537114 0.035101 -0.882320
H -5.222077 -2.959943 -0.225956
H -5.575795 -3.194988 1.511942
H -4.586426 -4.394941 0.633119
H -2.134379 -2.361699 2.819947
H -3.751984 -2.962669 3.248907
H -2.608571 -4.053962 2.415976
H 0.891106 -3.307154 0.080959
H 1.373340 -3.080660 -2.854522
H 2.260975 -4.138724 -1.710802
H 3.613903 -2.120814 -2.598504
H 2.442702 -1.045266 -1.790864
H 3.055632 -2.304934 0.437479
H 4.479195 -2.920731 -0.455605
H -2.127670 4.901920 -2.445461
H 5.105057 -0.506251 -0.969123
H 5.110883 -0.904590 0.779478
H 5.280204 2.489258 1.714977
H 5.870804 1.256225 0.633011
H 3.046402 3.328906 1.119168
H 1.827780 2.089890 0.991952


