%chk=000146547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146547

0 1
 O    2.671400       1.707800     -6.2000002E-03
 O   -2.671400       1.707400      5.2000000E-03
 O    3.196100      -3.220100      1.8000000E-03
 O   -3.196100      -3.220200     -1.5000000E-03
 N    2.793000     -0.9034000     -2.9000000E-03
 N   -2.792600     -0.9036000      3.0000000E-03
 N    5.864400      -2.910800      1.9999999E-04
 N   -5.864300      -2.910900     -6.0000003E-04
 C   0.6982000      0.3955000     -7.9999998E-04
 C  -0.6982000      0.3953000      1.0000000E-03
 C    1.396500     -0.8180000     -1.2000001E-03
 C   -1.396400     -0.8182000      1.8000000E-03
 C   0.6981000       2.941500     -1.2000001E-03
 C  -0.6984000       2.941400      1.0000000E-03
 C    1.447500       1.668500     -2.3000001E-03
 C   -1.447500       1.668400      2.3000001E-03
 C   0.6968000      -2.025100     -3.0000001E-04
 C  -0.6967000      -2.025200      1.1000000E-03
 C    1.396400       4.155100     -2.2000000E-03
 C   -1.396600       4.154800      2.0999999E-03
 C   0.6965000       5.362000     -7.9999998E-04
 C  -0.6969000       5.361900      1.2000001E-03
 C    3.590300      -2.058300     -3.7000000E-03
 C   -3.590200      -2.058400      3.8999999E-03
 C    5.065000      -1.694000     -5.5000000E-03
 C   -5.064900      -1.694100      5.2000000E-03
 C    7.287700      -2.599600      8.8999998E-03
 C   -7.287500      -2.599700     -9.7000003E-03
 H    1.134500      -3.010300     -1.0000000E-03
 H   -1.134300      -3.010400      2.3000001E-03
 H    2.482600       4.184700     -3.7000000E-03
 H   -2.482900       4.184400      3.8999999E-03
 H    3.291400     -1.8300001E-02 -4.8000002E-03
 H   -3.291200     -1.8500000E-02  4.4999998E-03
 H    1.238800       6.303200     -1.4000000E-03
 H   -1.239300       6.303000      2.3000001E-03
 H    5.268700      -1.093200      0.8885000    
 H    5.272700      -1.092000     -0.8979000    
 H   -5.268300      -1.093400     -0.8889000    
 H   -5.272800      -1.091900      0.8974000    
 H    5.650700      -3.462000     -0.8309000    
 H   -5.650700      -3.462100      0.8306000    
 H    7.580000      -2.031600     -0.8804000    
 H    7.864000      -3.529900      1.8900000E-02
 H    7.563400      -2.032000      0.9036000    
 H   -7.563000      -2.032300     -0.9045000    
 H   -7.863900      -3.530100     -1.9700000E-02
 H   -7.580100      -2.031700      0.8794000    


%chk=000146547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146547

0 1
O 2.762231 1.666455 0.037892
O -2.762335 1.665935 -0.037987
O 3.380865 -3.200550 0.031586
O -3.380765 -3.200648 -0.032071
N 2.836565 -0.898537 0.022665
N -2.836331 -0.898661 -0.022623
N 6.049610 -2.665030 0.345001
N -6.049483 -2.664895 -0.345265
C 0.723239 0.343200 0.007354
C -0.723110 0.343110 -0.007224
C 1.433581 -0.909124 0.012605
C -1.433341 -0.909256 -0.012642
C 0.711037 2.896443 0.009022
C -0.711339 2.896333 -0.008905
C 1.466736 1.621977 0.017989
C -1.466824 1.621741 -0.017718
C 0.696011 -2.134337 0.007095
C -0.695673 -2.134407 -0.007347
C 1.415381 4.127408 0.018202
C -1.415879 4.127184 -0.018250
C 0.709574 5.345278 0.009141
C -0.710262 5.345165 -0.009345
C 3.719268 -1.979067 0.011891
C -3.719091 -1.979148 -0.012025
C 5.193695 -1.561063 -0.066574
C -5.193493 -1.561084 0.066584
C 7.446800 -2.602733 -0.090480
C -7.446638 -2.602677 0.090352
H 1.252519 -3.073376 0.015774
H -1.252095 -3.073495 -0.016160
H 2.508721 4.097421 0.032411
H -2.509214 4.097023 -0.032456
H 3.220548 0.080035 0.036011
H -3.220276 0.079923 -0.035681
H 1.255797 6.294388 0.016258
H -1.256635 6.294188 -0.016587
H 5.364214 -0.661153 0.561101
H 5.376331 -1.237238 -1.126962
H -5.363974 -0.661004 -0.560859
H -5.376084 -1.237520 1.127058
H 5.581641 -3.572128 0.229848
H -5.581538 -3.572045 -0.230395
H 7.575145 -2.521541 -1.198834
H 7.979294 -3.507314 0.250430
H 7.954154 -1.730424 0.364610
H -7.953975 -1.730179 -0.364392
H -7.979208 -3.507105 -0.250842
H -7.574898 -2.521870 1.198745


