%chk=000101760.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101760

0 1
 O  -0.3293000       2.712900      0.2049000    
 O   -1.020900       2.182100      -1.993100    
 O   -3.791800      -1.894200      0.2475000    
 O    3.608800      -2.267400      8.3999999E-02
 O    4.954500     -0.2808000      0.2931000    
 N   -2.658900      0.8434000      0.8913000    
 C  -0.6477000      0.3288000     -0.3435000    
 C   -1.385800      9.6900001E-02   1.012100    
 C   -1.063400       1.800700     -0.6238000    
 C   -2.511500       1.878000     -0.1394000    
 C   -1.660900      -1.389000       1.303400    
 C   0.8721000      0.1991000     -0.1745000    
 C   -1.160800     -0.6094000      -1.432600    
 C   -2.385500      -2.110200      0.1582000    
 C    1.675200       1.361100     -3.2900002E-02
 C   -1.942400      -1.674700      -1.204000    
 C    1.061000       2.730800     -9.2900001E-02
 C   -3.114900       1.386600       2.164900    
 C    1.495500      -1.064900     -0.1330000    
 C    3.069600       1.258200      0.1183000    
 C    2.865200      -1.128900      2.8000001E-02
 C    3.631800      1.6000000E-03  0.1486000    
 C   -4.493200      -2.638500     -0.7371000    
 C    4.933200      -1.722000      0.2525000    
 H  -0.7839000      0.5127000       1.833400    
 H   -2.759900       2.883800      0.2224000    
 H   -3.210100       1.650700     -0.9537000    
 H   -2.244100      -1.486000       2.227700    
 H  -0.7046000      -1.890400       1.492400    
 H  -0.8551000     -0.4124000      -2.457600    
 H   -2.192400      -3.184200      0.2784000    
 H   -2.215400      -2.289500      -2.057900    
 H    1.532400       3.383100      0.6503000    
 H    1.222500       3.176800      -1.080800    
 H   -3.257200      0.5892000       2.901700    
 H   -2.409300       2.115900       2.578600    
 H   -4.086400       1.878300       2.043300    
 H  -0.2170000       1.803800      -2.386800    
 H   0.9275000      -1.984100     -0.2275000    
 H    3.689100       2.144500      0.2103000    
 H   -4.130600      -3.669000     -0.8122000    
 H   -4.463400      -2.139500      -1.710300    
 H   -5.543900      -2.677700     -0.4333000    
 H    5.354700      -2.106200       1.188600    
 H    5.560400      -2.059300     -0.5808000    


%chk=000101760-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101760

0 1
O -0.239973 2.830152 0.289869
O -0.808565 2.368808 -2.014505
O -3.722476 -2.072916 0.530497
O 3.609503 -2.374109 -0.253229
O 5.043406 -0.486462 0.117970
N -2.678638 0.957781 0.715857
C -0.611199 0.459261 -0.338795
C -1.407261 0.251351 0.997412
C -0.987522 1.957095 -0.635366
C -2.451300 2.100285 -0.201316
C -1.596838 -1.236546 1.348112
C 0.912456 0.275906 -0.213439
C -1.186229 -0.456303 -1.413677
C -2.265676 -2.062890 0.235160
C 1.771319 1.389720 0.003614
C -1.929272 -1.562243 -1.157740
C 1.208516 2.800970 0.087742
C -3.597112 1.177648 1.830527
C 1.467514 -1.038303 -0.313432
C 3.181802 1.221646 0.128324
C 2.843416 -1.181010 -0.165932
C 3.688977 -0.072535 0.050840
C -4.496542 -2.934431 -0.360844
C 4.985371 -1.974033 0.141760
H -0.828808 0.734376 1.824500
H -2.573839 3.086078 0.294200
H -3.119586 2.058555 -1.081912
H -2.210085 -1.344940 2.260602
H -0.602540 -1.662698 1.580889
H -0.962703 -0.184645 -2.454232
H -1.925064 -3.125244 0.309567
H -2.300522 -2.160074 -2.001570
H 1.623428 3.338622 0.957356
H 1.472885 3.384977 -0.821601
H -3.868888 0.211366 2.289449
H -3.185081 1.851193 2.624663
H -4.532677 1.629317 1.454125
H 0.080533 2.068387 -2.337464
H 0.826170 -1.897637 -0.522343
H 3.842976 2.078800 0.288663
H -4.044254 -3.948097 -0.443649
H -4.597891 -2.502008 -1.376658
H -5.497094 -3.019175 0.093262
H 5.181973 -2.323859 1.172997
H 5.700588 -2.371433 -0.594050


