%chk=000188435.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188435

0 1
O 1.430274 0.528751 -0.825984
O -1.217108 1.100862 0.202696
O 0.980381 -2.212284 -1.269139
O 2.973646 -2.514689 -0.456027
O -1.166804 2.657144 -1.438486
N -3.460064 -1.547269 0.457220
C 1.849147 1.905022 -0.566173
C 3.426928 0.266702 0.367575
C 2.019087 -0.366755 0.151115
C -2.565982 -0.861557 -0.558666
C 3.133701 1.785179 0.284836
C -2.547017 0.655863 -0.219312
C -3.438110 0.854279 1.016764
C -4.138614 -0.491570 1.269359
C -1.259730 -1.639042 -0.504837
C 0.656291 2.546925 0.186743
C -2.582538 -2.489318 1.248370
C 2.062787 2.525174 -1.935632
C 4.122939 -0.164879 1.646127
C 1.162266 -0.463408 1.403369
C -1.278202 -2.536283 0.492903
C 2.047605 -1.741766 -0.542768
C -0.220742 -1.440848 -1.550145
C -0.638356 2.156173 -0.473435
H 4.070733 -0.025658 -0.501410
H -3.054543 -0.998488 -1.557436
H 3.011574 2.225107 1.288051
H 3.980636 2.322529 -0.173443
H -2.862553 1.267430 -1.092873
H -4.163740 1.670307 0.866283
H -2.813717 1.150259 1.882294
H -4.173271 -0.744043 2.345570
H -5.193632 -0.459945 0.914605
H 0.747562 3.652300 0.188167
H 0.653975 2.224060 1.249114
H -3.090517 -3.479043 1.245260
H -2.436709 -2.190964 2.304348
H 2.464418 3.541385 -1.872441
H 2.753813 1.920011 -2.538527
H 1.120829 2.580967 -2.506070
H 5.126207 0.272076 1.718740
H 3.574789 0.119224 2.550499
H 4.244720 -1.259576 1.665128
H 1.259927 -1.433746 1.903594
H 1.415923 0.306764 2.139549
H 0.093877 -0.318816 1.150706
H -0.507915 -3.245527 0.749082
H -0.528308 -1.904171 -2.514578
H 0.020336 -0.369849 -1.718782


%chk=000188435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188435

0 1
O 1.442775 0.529689 -0.811333
O -1.289215 1.167910 0.323637
O 0.982680 -2.335852 -1.048185
O 3.153721 -2.520612 -0.427059
O -1.149725 2.645410 -1.485858
N -3.594400 -1.559793 0.356650
C 1.854098 1.944087 -0.538556
C 3.531883 0.293500 0.256651
C 2.126650 -0.377756 0.148846
C -2.635104 -0.870429 -0.567500
C 3.148384 1.806336 0.325430
C -2.622529 0.670928 -0.132187
C -3.588549 0.748618 1.074149
C -4.482013 -0.514377 0.921752
C -1.355299 -1.691581 -0.418809
C 0.646568 2.606582 0.212868
C -2.809526 -2.400775 1.316569
C 2.104906 2.599714 -1.905465
C 4.440859 -0.178166 1.403354
C 1.403215 -0.480783 1.518539
C -1.461543 -2.537124 0.637484
C 2.144278 -1.787806 -0.486884
C -0.250941 -1.581828 -1.433602
C -0.669937 2.179588 -0.425984
H 4.046976 0.102670 -0.704428
H -3.011225 -0.897486 -1.611631
H 2.969346 2.109782 1.373867
H 3.961898 2.438517 -0.068839
H -2.937416 1.308058 -0.977532
H -4.159410 1.692487 1.098977
H -2.987021 0.681724 1.999643
H -4.924917 -0.849903 1.874371
H -5.312814 -0.318565 0.216040
H 0.728175 3.706165 0.144463
H 0.646119 2.308632 1.272606
H -3.297725 -3.384093 1.465420
H -2.711694 -1.929177 2.325209
H 2.400922 3.657056 -1.778514
H 2.914707 2.067923 -2.434349
H 1.194837 2.570376 -2.527628
H 5.399230 0.372466 1.383464
H 3.978513 -0.006008 2.392420
H 4.660606 -1.253863 1.297760
H 1.806834 -1.333615 2.093449
H 1.558899 0.430906 2.119470
H 0.322800 -0.624451 1.374005
H -0.698467 -3.255203 0.947345
H -0.560627 -2.080613 -2.371751
H 0.006414 -0.534265 -1.646442


