%chk=000121089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121089

0 1
 O    3.193300      0.5130000     -0.7114000    
 O   0.2992000       1.597100     -0.4282000    
 O    1.473700       1.949400       1.521000    
 O    2.621800     -0.6207000       1.761300    
 N   -3.330600       1.186400      7.9899997E-02
 C    2.661200       1.826000     -0.5995000    
 C   -2.070300       1.282600     -0.6414000    
 C  -0.9185000       1.526900      0.3206000    
 C   -3.594300       2.417300      0.8291000    
 C   -4.435200      0.9093000     -0.8417000    
 C    1.431000       1.814500      0.3039000    
 C    2.297500       2.314900      -2.000400    
 C    3.728900       2.716300      2.8500000E-02
 C    2.304300     -0.5252000     -0.6098000    
 C   -4.873400       2.302500       1.640800    
 C   -4.184900     -0.3641000      -1.631400    
 C    2.022500      -1.087600      0.6303000    
 C   0.4972000      -2.631700     -0.4306000    
 C    1.690700      -1.006400      -1.761400    
 C    1.116300      -2.144000      0.7203000    
 C   0.7844000      -2.062800      -1.671500    
 C  -0.4726000      -3.760600     -0.3345000    
 C   -1.892300      -3.302200     -0.1226000    
 C    2.273400      -1.257000       2.989200    
 C   -2.623100      -3.593600      0.9594000    
 H   -2.090400       2.071200      -1.405600    
 H   -1.823400      0.3527000      -1.164800    
 H   -1.005500       2.484600      0.8398000    
 H  -0.8473000      0.7144000       1.053900    
 H   -2.819000       2.601700       1.577000    
 H   -3.643500       3.296200      0.1743000    
 H   -5.366800      0.7397000     -0.2922000    
 H   -4.605000       1.742600      -1.535200    
 H    3.181300       2.307000      -2.649400    
 H    1.905600       3.338100      -1.972700    
 H    1.551200       1.692800      -2.503000    
 H    4.050100       2.323600       1.000600    
 H    4.626400       2.751100     -0.5997000    
 H    3.368000       3.739700      0.1766000    
 H   -4.926000       3.126200       2.362100    
 H   -4.910700       1.367900       2.211200    
 H   -5.771400       2.376900       1.019900    
 H   -5.097500     -0.6383000      -2.173500    
 H   -3.947300      -1.198000     -0.9674000    
 H   -3.401300     -0.2580000      -2.386800    
 H    1.919600     -0.5841000      -2.735100    
 H   0.8522000      -2.623600       1.656900    
 H   0.3103000      -2.434300      -2.576100    
 H  -0.4363000      -4.360500      -1.253200    
 H  -0.1622000      -4.447100      0.4644000    
 H   -2.345300      -2.729500     -0.9253000    
 H    2.841800     -0.7592000       3.781800    
 H    1.212800      -1.121200       3.226900    
 H    2.572700      -2.310600       2.997700    
 H   -3.646900      -3.245300       1.040400    
 H   -2.216300      -4.177300       1.777700    


%chk=000121089-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121089

0 1
O 3.148622 0.456312 -0.241393
O 0.422210 1.904493 -0.223182
O 1.645957 2.910455 1.481647
O 1.313305 -0.397807 1.613905
N -3.244388 1.588846 0.480724
C 2.831407 1.921210 -0.480575
C -1.955652 1.461399 -0.245049
C -0.819718 2.074654 0.582060
C -3.895362 2.910812 0.262432
C -4.162177 0.440567 0.254301
C 1.608142 2.311527 0.385067
C 2.578489 2.178927 -1.977101
C 4.086279 2.628339 0.039210
C 2.225276 -0.552374 -0.593817
C -4.820114 3.325284 1.422618
C -3.738220 -0.827808 1.019035
C 1.315553 -1.062808 0.383422
C 0.566281 -2.790403 -1.204094
C 2.292821 -1.174058 -1.855411
C 0.499571 -2.173697 0.072228
C 1.467601 -2.279976 -2.165435
C -0.296075 -4.017948 -1.509015
C -1.740560 -3.879610 -1.064176
C 0.500270 -0.963075 2.694088
C -2.383094 -4.733044 -0.227306
H -1.985537 1.940225 -1.252680
H -1.725909 0.393968 -0.406947
H -0.969745 3.150742 0.784567
H -0.694470 1.553572 1.545712
H -3.095348 3.668168 0.163500
H -4.463830 2.927996 -0.702055
H -5.166146 0.741433 0.604623
H -4.264620 0.208379 -0.836393
H 3.477663 1.899570 -2.553823
H 2.372631 3.251104 -2.148848
H 1.713172 1.603520 -2.341793
H 4.227261 2.414156 1.109742
H 4.964995 2.268567 -0.521750
H 3.995953 3.720865 -0.087842
H -5.253329 4.325156 1.233119
H -4.250863 3.358057 2.367705
H -5.659139 2.618383 1.555309
H -4.468162 -1.642247 0.851423
H -3.686784 -0.616193 2.101561
H -2.749576 -1.198609 0.691320
H 3.017901 -0.793162 -2.581878
H -0.196010 -2.578477 0.815395
H 1.536976 -2.750915 -3.152753
H -0.266567 -4.204128 -2.601556
H 0.142455 -4.914401 -1.025966
H -2.282458 -3.011633 -1.471108
H 0.689008 -0.311663 3.559613
H -0.579037 -0.949183 2.443351
H 0.812629 -1.999469 2.926104
H -3.433905 -4.587724 0.047672
H -1.875530 -5.606580 0.201596


