%chk=000198595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198595

0 1
N -2.593629 -2.493691 -1.143721
N 2.594231 2.497736 -1.132842
C -1.767024 -2.282943 0.087337
C 1.767025 2.282280 0.096995
C -3.280651 -2.049125 0.110966
C 3.280647 2.048373 0.120464
C -0.870778 -1.093878 0.072521
C 0.870797 1.093276 0.077194
C -1.410948 0.212444 0.074375
C 1.410962 -0.213046 0.074191
C -3.777813 -0.645652 0.111071
C 3.777798 0.644907 0.115469
C 0.512991 -1.293102 0.072215
C -0.512972 1.292500 0.077061
C -2.871452 0.438736 0.087518
C 2.871458 -0.439384 0.087209
C -5.161217 -0.418528 0.143306
C 5.161183 0.417659 0.147650
C -3.398478 1.744344 0.089289
C 3.398482 -1.744988 0.084202
C -5.660453 0.884455 0.146051
C 5.660420 -0.885326 0.145631
C -4.774871 1.966810 0.117844
C 4.774859 -1.967563 0.112689
H -1.351264 -3.148641 0.622844
H 1.350999 3.145912 0.635615
H -3.922045 -2.750542 0.663613
H 3.921774 2.747661 0.676104
H -2.748126 -3.472413 -1.392138
H 2.748848 3.477408 -1.377416
H 0.903412 -2.313331 0.056181
H -0.903396 2.312782 0.064897
H -5.850042 -1.261628 0.153885
H 5.850006 1.260704 0.161927
H -2.720689 2.599696 0.062026
H 2.720712 -2.600227 0.053214
H -6.734768 1.057413 0.165005
H 6.734724 -1.058351 0.164552
H -5.160201 2.984941 0.115100
H 5.160189 -2.985677 0.106204


%chk=000198595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198595

0 1
N -2.691018 -2.335961 -1.446755
N 2.691739 2.341285 -1.436341
C -1.801570 -2.269332 -0.192957
C 1.801715 2.269739 -0.183213
C -3.299267 -2.042908 -0.063371
C 3.299348 2.042809 -0.053834
C -0.893016 -1.094127 -0.108590
C 0.893118 1.094218 -0.103879
C -1.432013 0.230994 -0.061388
C 1.432094 -0.231078 -0.061561
C -3.797924 -0.655766 0.140984
C 3.797906 0.654885 0.145376
C 0.499823 -1.299583 -0.076255
C -0.499736 1.299548 -0.071453
C -2.898235 0.455490 0.067191
C 2.898251 -0.456078 0.066893
C -5.173545 -0.445803 0.392970
C 5.173399 0.443959 0.397255
C -3.449689 1.760904 0.199535
C 3.449639 -1.761988 0.194562
C -5.698127 0.855707 0.529256
C 5.697914 -0.858060 0.528866
C -4.826214 1.963876 0.418112
C 4.826053 -1.965793 0.413067
H -1.392932 -3.219216 0.174648
H 1.392909 3.218177 0.187920
H -3.901486 -2.839589 0.391449
H 3.901358 2.837706 0.404374
H -2.862868 -3.333308 -1.694865
H 2.863713 3.339601 -1.680437
H 0.855535 -2.335196 -0.076507
H -0.855446 2.335155 -0.067852
H -5.841360 -1.313276 0.460332
H 5.841176 1.311169 0.468278
H -2.800331 2.639445 0.141259
H 2.800311 -2.640300 0.132629
H -6.767943 1.006389 0.709534
H 6.767636 -1.009428 0.709122
H -5.217765 2.982917 0.510333
H 5.217549 -2.985181 0.501613


