%chk=000216361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216361

0 1
O 5.670961 -0.085232 -0.006954
O -6.328986 0.636652 -0.036519
N 1.158967 -1.211903 -0.091336
N 1.755374 -2.466894 -0.154295
N -0.801121 0.108433 -0.032726
C 2.124317 -0.227544 -0.033936
C 3.386545 -0.893835 -0.062027
C 2.324414 1.222885 0.043737
C 3.751459 1.424160 0.062280
C 4.479389 0.085882 -0.004356
C 3.114580 -2.284514 -0.136962
C -0.280343 -1.120308 -0.094637
C 1.461990 2.295731 0.095542
C 4.282131 2.690027 0.132010
C -1.066764 -2.320756 -0.162485
C -2.437259 -2.221560 -0.165113
C -3.050023 -0.911909 -0.099434
C -2.188458 0.221664 -0.034631
C 4.076199 -3.400811 -0.190107
C 2.018779 3.596304 0.167199
C 3.391855 3.791575 0.185130
C -4.452268 -0.707138 -0.096572
C -3.287980 -3.442881 -0.234535
C -2.740520 1.542670 0.032033
C -4.952887 0.584653 -0.031177
C -4.099981 1.726212 0.033990
C -6.965332 1.935427 0.030152
H 0.379520 2.156559 0.082234
H 5.361275 2.847805 0.146378
H -0.557182 -3.288633 -0.210627
H 3.952208 -4.084258 0.665308
H 3.948847 -4.003837 -1.103467
H 5.116243 -3.031882 -0.174982
H 1.345088 4.452113 0.208544
H 3.802648 4.799000 0.240503
H -5.139376 -1.549918 -0.145015
H -2.698687 -4.370361 -0.280456
H -3.944503 -3.525368 0.645878
H -3.934751 -3.431450 -1.125893
H -2.052958 2.389973 0.080710
H -4.523386 2.726381 0.084360
H -8.029083 1.660265 0.010203
H -6.702233 2.535318 -0.845528
H -6.711107 2.438101 0.967477


%chk=000216361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216361

0 1
O 5.726675 -0.100963 -0.001360
O -6.402244 0.620592 -0.032527
N 1.160266 -1.194172 -0.093202
N 1.740252 -2.496807 -0.157679
N -0.790745 0.130693 -0.035221
C 2.135569 -0.218383 -0.034465
C 3.374596 -0.895634 -0.060512
C 2.339856 1.243293 0.043544
C 3.763781 1.433628 0.064470
C 4.475895 0.089763 -0.000319
C 3.091963 -2.292490 -0.136476
C -0.265251 -1.098226 -0.097200
C 1.479400 2.351518 0.094499
C 4.326979 2.711445 0.135901
C -1.032733 -2.308082 -0.165807
C -2.425205 -2.238546 -0.168485
C -3.045841 -0.929312 -0.101507
C -2.175377 0.229397 -0.036869
C 4.051230 -3.447596 -0.189489
C 2.054883 3.650453 0.166759
C 3.455681 3.835120 0.187722
C -4.455319 -0.737302 -0.096770
C -3.264310 -3.495316 -0.239400
C -2.760998 1.529483 0.028527
C -5.002259 0.553580 -0.031087
C -4.147111 1.701025 0.031881
C -7.030788 1.943718 0.034705
H 0.399205 2.191140 0.077768
H 5.415545 2.829201 0.150779
H -0.499716 -3.258764 -0.214336
H 3.904795 -4.123581 0.671803
H 3.901751 -4.044597 -1.106676
H 5.087704 -3.076083 -0.174097
H 1.395661 4.525048 0.207074
H 3.871226 4.846972 0.244052
H -5.141871 -1.587185 -0.143802
H -2.627345 -4.393088 -0.286599
H -3.923316 -3.587840 0.644540
H -3.918627 -3.490837 -1.131643
H -2.090432 2.392805 0.076471
H -4.566234 2.709983 0.082745
H -8.112148 1.744868 0.022177
H -6.756889 2.565727 -0.839345
H -6.760554 2.472148 0.969353


