%chk=000296534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296534

0 1
O 4.814701 1.821532 0.508620
O -1.796384 1.376767 -1.545069
N 0.060155 -0.225519 -0.244410
N -1.291737 -0.335996 -0.044546
C 2.346322 -0.769747 0.086720
C 0.902979 -0.983715 0.398780
C 2.958036 0.438012 0.411188
C 3.081152 -1.811889 -0.512562
C 4.332421 0.589333 0.127536
C 4.435471 -1.631132 -0.785657
C 5.083776 -0.431358 -0.465464
C 0.597707 -2.043421 1.415179
C -3.597582 0.245200 -0.419522
C -2.162781 0.531651 -0.769255
C -4.282759 1.123402 0.428397
C -4.247548 -0.861479 -0.978613
C -5.627781 0.884024 0.725379
C -5.593232 -1.092990 -0.679371
C -6.281480 -0.222654 0.173042
C 6.200708 2.124834 0.220421
H 2.401718 1.264276 0.850817
H 2.586708 -2.743327 -0.773143
H 5.004059 -2.433352 -1.256821
H 6.138059 -0.309958 -0.683605
H 0.051158 -1.632716 2.275425
H 0.004550 -2.861188 0.984303
H 1.514937 -2.498288 1.819937
H -3.772595 1.992534 0.845721
H -3.711406 -1.530882 -1.651565
H -1.684080 -1.015931 0.615742
H -6.167484 1.564369 1.383012
H -6.106759 -1.949132 -1.114784
H -7.330849 -0.404771 0.403595
H 6.380783 2.093565 -0.858057
H 6.859987 1.444207 0.765923
H 6.288870 3.150336 0.602908


%chk=000296534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296534

0 1
O 4.608632 2.015720 -0.050567
O -1.670581 1.980927 0.015313
N 0.157551 -0.146132 0.051766
N -1.211056 -0.322824 0.130972
C 2.405128 -0.947471 0.108866
C 0.941662 -1.200493 0.230194
C 2.881844 0.388526 0.077806
C 3.345408 -2.014873 0.012494
C 4.262838 0.655344 -0.038993
C 4.721477 -1.736251 -0.107903
C 5.199989 -0.407437 -0.131407
C 0.406812 -2.592169 0.541470
C -3.540172 0.426885 0.034765
C -2.075609 0.788632 0.047168
C -4.454834 1.409162 0.494699
C -4.039001 -0.813065 -0.447764
C -5.840109 1.147821 0.500907
C -5.427603 -1.071642 -0.445719
C -6.330623 -0.095904 0.035877
C 6.027666 2.354834 -0.169235
H 2.172464 1.217722 0.142826
H 3.014969 -3.057885 0.007739
H 5.435705 -2.563498 -0.187106
H 6.273328 -0.216377 -0.220055
H -0.343662 -2.557546 1.356488
H -0.074886 -3.053347 -0.344291
H 1.203785 -3.269450 0.878043
H -4.054177 2.370352 0.833013
H -3.360487 -1.563595 -0.872425
H -1.624517 -1.248679 0.300202
H -6.537498 1.910759 0.863483
H -5.805170 -2.025061 -0.831282
H -7.407423 -0.298066 0.037140
H 6.455440 1.979809 -1.119851
H 6.612171 1.955777 0.683114
H 6.060339 3.454092 -0.157546


