%chk=000150633.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150633

0 1
 O   0.8843000       1.329100     -0.5664000    
 O    4.010600      -1.212400      0.2135000    
 O  -0.5980000     -0.4495000     -0.8154000    
 O    4.243500       1.578400      0.8935000    
 O   0.9697000       4.046500     -0.2662000    
 O   0.3489000      -3.208600      -1.376500    
 N    1.269400      -2.191200      0.5038000    
 N   -5.717200       1.020000      0.7849000    
 C    1.644200     -0.9365000     -0.1149000    
 C    2.903700     -0.3738000      0.5507000    
 C    3.200800       1.050900      7.7699997E-02
 C    1.948400       1.925500      0.1776000    
 C   0.4855000      6.3900001E-02 -4.1400000E-02
 C    2.171700       3.321800     -0.3942000    
 C   0.6525000      -3.219100     -0.1865000    
 C   -1.857300     -8.8399999E-02 -0.4212000    
 C   0.3968000      -4.417300      0.6879000    
 C   -2.211500       1.256700     -0.3908000    
 C   -2.774000      -1.068600     -5.4000001E-02
 C   -3.495500       1.625400      1.0600000E-02
 C   -4.057900     -0.6997000      0.3475000    
 C   -4.418700      0.6472000      0.3797000    
 H    1.861300      -1.148600      -1.170900    
 H    2.814900     -0.3953000       1.644000    
 H    3.568600       1.018200     -0.9558000    
 H    1.629300       2.033600       1.223200    
 H   0.1683000      0.1878000       1.005100    
 H    2.434600       3.284400      -1.456600    
 H    2.954900       3.861800      0.1443000    
 H    1.419500      -2.294000       1.503600    
 H    4.113300      -1.203200     -0.7535000    
 H    4.559200       2.398400      0.4785000    
 H   0.2865000       3.578800     -0.7757000    
 H  -0.1580000      -5.173200      0.1253000    
 H    1.348700      -4.843200       1.017100    
 H  -0.1938000      -4.123600       1.560400    
 H   -1.518600       2.034500     -0.6928000    
 H   -2.497300      -2.118800     -7.7200003E-02
 H   -3.766100       2.678100      2.7200000E-02
 H   -4.768200      -1.471500      0.6328000    
 H   -5.978900       1.996500      0.8097000    
 H   -6.386600      0.3112000       1.053800    


%chk=000150633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150633

0 1
O 0.669874 1.322523 -0.681535
O 4.072625 -1.053092 -0.139744
O -0.799453 -0.526120 -0.650683
O 4.214745 1.669371 0.393523
O 0.694895 4.107443 -0.450268
O 3.159495 -3.335252 0.670206
N 1.123294 -2.282168 0.162153
N -5.928670 1.365081 0.854894
C 1.553154 -0.962919 -0.369271
C 2.852376 -0.366162 0.242999
C 3.064811 1.074848 -0.279650
C 1.845252 1.968933 -0.025512
C 0.393658 0.024877 -0.072765
C 1.940113 3.361405 -0.651285
C 1.882513 -3.346445 0.584474
C -2.058498 0.019395 -0.235116
C 1.107588 -4.600290 0.968570
C -2.202508 1.223157 0.489724
C -3.195566 -0.724770 -0.612480
C -3.491603 1.663619 0.855517
C -4.481303 -0.279427 -0.253472
C -4.652776 0.923171 0.493985
H 1.678660 -1.022740 -1.469503
H 2.740666 -0.335953 1.352140
H 3.245448 1.001094 -1.374800
H 1.651410 2.058751 1.065324
H 0.265770 0.156824 1.029565
H 2.183173 3.266552 -1.730630
H 2.732656 3.937688 -0.151410
H 0.113236 -2.430633 0.061554
H 3.974058 -2.018162 0.177234
H 4.931892 0.980111 0.357447
H -0.035783 3.568037 -0.851064
H 1.399559 -5.422603 0.292605
H 1.397396 -4.900319 1.989488
H 0.012747 -4.473936 0.927445
H -1.332754 1.834145 0.747161
H -3.064699 -1.645424 -1.190246
H -3.596714 2.600274 1.415867
H -5.358975 -0.864480 -0.553077
H -6.053077 2.227333 1.376296
H -6.757182 0.848466 0.576737


