%chk=000150319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150319

0 1
 O    3.385300       1.176200      0.3287000    
 O    3.211600      -1.143800     -0.2157000    
 O    2.321300       2.206600      -1.452600    
 O    2.195200      -2.041800       1.662500    
 N   -2.873000      0.3853000      0.3262000    
 N   -2.084000      -1.151800      -1.106400    
 N  -0.7630000       1.264200       1.176200    
 N    2.566900      6.2899999E-02  9.0899996E-02
 C   -1.038700     -0.5092000     -0.4910000    
 C   -1.502500      0.4486000      0.4018000    
 C   0.3471000     -0.6667000     -0.6231000    
 C   -3.175600     -0.6059000     -0.6075000    
 C    1.162300      0.1529000      0.1562000    
 C   -3.841400       1.121400       1.005600    
 C   0.9425000      -1.669800      -1.556500    
 C   0.5677000       1.072500       1.012600    
 C   -4.556400     -0.8575000     -0.8605000    
 C   -5.138900      0.8770000      0.7607000    
 C   -5.495700     -0.1481000     -0.2061000    
 C    3.144300       2.198200     -0.5468000    
 C    2.924500      -2.132500      0.6839000    
 C    4.053500       3.346600     -0.2297000    
 C    3.647100      -3.385300      0.2903000    
 H   -3.510300       1.871400       1.713500    
 H    1.804200      -1.284200      -2.108700    
 H   0.2082000      -1.920600      -2.333100    
 H    1.167200      -2.610600      -1.052000    
 H    1.172400       1.718800       1.644800    
 H   -4.835100      -1.619700      -1.579400    
 H   -5.928400       1.422500       1.263200    
 H   -6.550400     -0.3260000     -0.3860000    
 H    5.095800       3.032100     -0.3255000    
 H    3.851600       3.710800      0.7807000    
 H    3.869600       4.160500     -0.9370000    
 H    4.722400      -3.248200      0.4278000    
 H    3.311400      -4.210800      0.9245000    
 H    3.423700      -3.640000     -0.7487000    


%chk=000150319-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150319

0 1
O 3.030121 1.267517 -0.007563
O 3.006550 -1.111686 -0.458889
O 4.489408 1.454555 -1.874392
O 2.551198 -0.972190 1.867421
N -3.093862 0.225002 0.426835
N -2.459572 -1.057245 -1.409586
N -0.876243 1.056099 1.117459
N 2.307341 0.218310 -0.771371
C -1.338407 -0.463276 -0.815723
C -1.698376 0.338120 0.319419
C 0.033833 -0.531931 -1.182582
C -3.509896 -0.637507 -0.654594
C 0.908906 0.204868 -0.337074
C -3.975242 0.781744 1.338477
C 0.492384 -1.325541 -2.378461
C 0.436227 0.971131 0.777943
C -4.905735 -0.912498 -0.767214
C -5.326870 0.502442 1.212979
C -5.793861 -0.351950 0.150475
C 4.131751 1.836282 -0.756719
C 3.040367 -1.576821 0.900632
C 4.719641 2.935248 0.101875
C 3.788729 -2.894296 0.910879
H -3.533685 1.415877 2.110521
H 1.334605 -0.821886 -2.882869
H -0.347044 -1.474982 -3.075839
H 0.858695 -2.323537 -2.071624
H 1.145173 1.517143 1.400046
H -5.236874 -1.562782 -1.580169
H -6.029718 0.936966 1.927762
H -6.864914 -0.561389 0.066492
H 5.013232 2.537623 1.088187
H 3.968746 3.725693 0.274307
H 5.595837 3.362788 -0.406471
H 4.845594 -2.728310 0.638120
H 3.732029 -3.334909 1.917220
H 3.362329 -3.588671 0.167894


