%chk=000176870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176870

0 1
 O   -2.415800      -1.499100     -0.9374000    
 O   -3.783300      0.8252000     -0.2670000    
 O   -4.350600      -2.693400      0.6983000    
 O   -6.554500      0.9800000      0.1072000    
 N    2.482600     -0.1680000      -1.053500    
 N   0.3264000       3.223000     -6.2799998E-02
 N    2.422100       2.119900     -0.5078000    
 C   0.3443000      0.8892000     -0.6153000    
 C  -0.3341000       2.071400     -0.2764000    
 C   -1.743000     -0.3357000     -0.7205000    
 C   -2.425900      0.8282000     -0.3856000    
 C  -0.3567000     -0.3090000     -0.8364000    
 C    1.729700      0.9839000     -0.7150000    
 C   -1.721500       2.016000     -0.1673000    
 C   -2.093000      -2.602700     -9.2799999E-02
 C    3.786100     -0.5763000     -0.7298000    
 C   -4.355100       1.749400      0.6563000    
 C    1.668300       3.184700     -0.1897000    
 C   -3.326400      -3.467000      8.5100003E-02
 C   -5.653500       1.176000       1.190400    
 C    4.359200     -0.1864000      0.4807000    
 C    4.508200      -1.372200      -1.619000    
 C    5.654500     -0.5924000      0.8017000    
 C    5.803400      -1.778300      -1.297900    
 C    6.376600      -1.388200     -8.7600000E-02
 C   -5.541500      -3.449100      0.8700000    
 C   -7.784600      0.4219000      0.5477000    
 C    6.242200     -0.1932000       2.041400    
 C    6.736200      0.1422000       3.083300    
 H   0.1603000      -1.227600      -1.100500    
 H   -2.239700       2.944100      6.5099999E-02
 H    2.080200     -0.6880000      -1.828500    
 H   -1.759500      -2.244300      0.8896000    
 H   -1.288900      -3.184500     -0.5557000    
 H   -3.697200       1.932000       1.515000    
 H   -4.554600       2.688400      0.1274000    
 H    2.194500       4.115400     -1.6000001E-02
 H   -3.680500      -3.811500     -0.8935000    
 H   -3.089000      -4.334100      0.7112000    
 H   -5.461400      0.2098000       1.671500    
 H   -6.095000       1.864000       1.919600    
 H    3.798800      0.4223000       1.187300    
 H    4.074200      -1.682700      -2.566100    
 H    6.365600      -2.397900      -1.990400    
 H    7.387300      -1.712800      0.1481000    
 H   -6.285900      -2.812200       1.355000    
 H   -5.356600      -4.318000       1.508900    
 H   -5.935100      -3.769900     -9.9299997E-02
 H   -7.619800     -0.5577000       1.006500    
 H   -8.277600       1.092600       1.257900    
 H   -8.435600      0.2945000     -0.3213000    
 H    7.174200      0.4396000       4.007300    


%chk=000176870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176870

0 1
O -2.838110 -1.446442 -0.024466
O -3.985741 0.861922 0.472457
O -3.752292 -4.193493 0.880132
O -6.604700 1.855134 -0.664304
N 2.398216 -0.472280 0.048502
N 0.339122 3.129618 0.789785
N 2.403195 1.863248 0.484178
C 0.252809 0.692155 0.315297
C -0.385312 1.954666 0.582170
C -1.960972 -0.381678 0.163383
C -2.597971 0.891682 0.436824
C -0.564314 -0.463897 0.105912
C 1.709149 0.712742 0.284666
C -1.809044 2.027224 0.637928
C -2.257183 -2.759956 -0.348521
C 3.789117 -0.745677 -0.039493
C -4.677134 2.134259 0.759010
C 1.675891 3.007114 0.723900
C -3.404589 -3.749764 -0.469352
C -6.170740 1.859867 0.732480
C 4.803473 0.234141 0.104504
C 4.152312 -2.100693 -0.289377
C 6.169896 -0.144543 -0.002095
C 5.507841 -2.467052 -0.392806
C 6.524567 -1.500412 -0.251617
C -4.960411 -5.014810 0.900739
C -8.006049 1.468791 -0.805638
C 7.197603 0.850818 0.144064
C 8.085403 1.700291 0.268290
H -0.113824 -1.438678 -0.105021
H -2.239918 3.010132 0.840818
H 1.811342 -1.297015 -0.077387
H -1.572994 -3.090517 0.458762
H -1.699112 -2.686111 -1.305155
H -4.363684 2.500941 1.757439
H -4.420181 2.889094 -0.009459
H 2.267977 3.914655 0.878832
H -4.267600 -3.256739 -0.965986
H -3.085563 -4.619099 -1.088474
H -6.378650 0.882990 1.220227
H -6.703589 2.659352 1.296348
H 4.516337 1.268191 0.297604
H 3.371590 -2.865130 -0.401152
H 5.771117 -3.512689 -0.584480
H 7.579774 -1.778286 -0.330794
H -5.129451 -5.285345 1.954495
H -4.838529 -5.941439 0.298682
H -5.839057 -4.452929 0.519055
H -8.185280 0.441837 -0.421744
H -8.682659 2.172304 -0.273114
H -8.225953 1.499117 -1.884073
H 8.852872 2.443890 0.377431


