%chk=000217450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217450

1 1
O 1.939541 0.577312 -0.270829
N -2.352428 0.354400 0.191684
C -0.911240 -0.032004 0.553789
C -3.123913 -0.891996 -0.273031
C -3.000076 0.936146 1.432485
C -2.343353 1.407986 -0.893750
C -0.119848 -0.658674 -0.604330
C -4.589430 -0.629914 -0.560857
C 1.316255 -0.690368 -0.248361
C 2.221650 -1.661319 0.088229
C 3.290408 0.337675 0.066091
C 3.487107 -1.002043 0.289205
C 4.125640 1.540505 0.090622
H -0.369568 0.883187 0.907427
H -0.926619 -0.733395 1.421496
H -2.626431 -1.292800 -1.189679
H -3.023073 -1.679202 0.513235
H -2.426276 1.794455 1.830811
H -4.024495 1.302478 1.227140
H -3.079934 0.185782 2.241319
H -1.876619 1.029625 -1.824136
H -3.366690 1.740924 -1.150642
H -1.770983 2.304897 -0.587785
H -0.242086 -0.076397 -1.547985
H -0.465923 -1.692092 -0.828412
H -5.071642 -1.553661 -0.934955
H -5.168949 -0.337411 0.325777
H -4.758878 0.125405 -1.340632
H 2.060357 -2.719552 0.185881
H 4.403926 -1.495179 0.558460
H 4.153618 2.042624 -0.892659
H 3.764655 2.285887 0.818601
H 5.170296 1.304721 0.359395


%chk=000217450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217450

1 1
O 1.959865 0.577053 -0.120879
N -2.385237 0.410912 0.120896
C -0.893021 0.083689 0.419819
C -3.152770 -0.907996 -0.164830
C -2.951698 1.099588 1.361705
C -2.486451 1.368547 -1.064121
C -0.113930 -0.631592 -0.708174
C -4.661794 -0.751178 -0.380189
C 1.340605 -0.680130 -0.338731
C 2.275923 -1.686134 -0.182504
C 3.327124 0.319719 0.174373
C 3.537722 -1.049046 0.140031
C 4.191530 1.506982 0.439125
H -0.406588 1.048817 0.641453
H -0.887512 -0.530912 1.336935
H -2.680142 -1.343921 -1.060034
H -2.941091 -1.567348 0.695467
H -2.342538 1.989898 1.581280
H -3.991361 1.402668 1.175750
H -2.910331 0.402317 2.212483
H -2.216962 0.842632 -1.990770
H -3.515868 1.746810 -1.140748
H -1.795125 2.209050 -0.898446
H -0.235975 -0.094761 -1.669394
H -0.460783 -1.668530 -0.851832
H -5.071238 -1.749515 -0.614682
H -5.193852 -0.391675 0.515669
H -4.908208 -0.098823 -1.234573
H 2.100807 -2.754965 -0.292408
H 4.486493 -1.548930 0.321841
H 4.221771 2.189397 -0.429750
H 3.834340 2.088230 1.309018
H 5.221293 1.177151 0.649824


