%chk=000179814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179814

0 1
Cl -2.951346 -3.233133 -0.538547
F -0.304619 -3.629220 -1.833134
F 0.206201 -1.586969 -2.100092
F -1.537453 -2.375945 -3.015008
F 4.929086 1.914210 -0.163826
O -1.271074 1.650245 0.540284
O -1.948722 2.711250 2.411804
O 3.349264 -0.175660 -0.116472
N -1.650816 3.389055 -2.248848
C -3.757432 -0.148553 1.183647
C -2.437313 -0.913242 1.340347
C -2.620214 0.417806 2.071384
C -4.062001 0.520549 -0.129032
C -4.976045 -0.681777 1.893043
C -1.519651 -1.090407 0.196463
C -1.954193 1.697420 1.757818
C -1.679038 -2.092380 -0.673438
C -0.601181 2.872642 0.097188
C -0.835562 -2.397861 -1.872465
C 0.885105 2.601411 0.015698
C -1.183706 3.160552 -1.219348
C 1.359793 1.282949 0.013096
C 1.767475 3.685959 -0.052597
C 2.736308 1.060102 -0.040179
C 3.150129 3.467237 -0.122881
C 3.624122 2.158837 -0.108335
C 2.686964 -1.296395 0.413200
C 2.014119 -1.274626 1.638234
C 2.854383 -2.462777 -0.345044
C 1.487209 -2.479242 2.114819
C 2.321790 -3.650657 0.157932
C 1.635251 -3.659528 1.379582
H -2.447004 -1.812009 1.988045
H -2.761507 0.349216 3.168909
H -4.813789 1.313342 -0.019293
H -3.174430 0.978647 -0.594486
H -4.455787 -0.204072 -0.857735
H -5.688363 0.124082 2.120998
H -5.504812 -1.413418 1.263947
H -4.744917 -1.183406 2.840369
H -0.696641 -0.355353 0.104792
H -0.831783 3.702057 0.828244
H 0.651929 0.445151 0.045732
H 1.390626 4.708887 -0.055615
H 3.840293 4.310977 -0.182082
H 1.925834 -0.356775 2.213937
H 3.389325 -2.427454 -1.292906
H 0.964534 -2.495447 3.070886
H 2.436560 -4.575688 -0.408839
H 1.219799 -4.591794 1.758009


%chk=000179814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179814

0 1
Cl -2.900459 -2.694321 3.609623
F -0.012854 -3.164598 2.304463
F -0.710233 -2.670166 0.202345
F -1.631435 -4.410243 1.334892
F 4.498710 1.452873 2.371565
O -1.561179 1.482532 0.221720
O -2.075651 3.424711 1.411758
O 4.002970 -0.107941 0.204611
N -0.449872 1.495885 -2.982151
C -4.547696 0.687339 0.895239
C -3.613348 -0.068247 1.874382
C -3.491043 1.488554 1.710099
C -4.404504 0.501601 -0.613365
C -5.994845 0.866588 1.356721
C -2.581118 -1.001828 1.397637
C -2.340049 2.230306 1.131859
C -2.208215 -2.146522 2.021754
C -0.418240 2.255865 -0.430035
C -1.168893 -3.081369 1.481513
C 0.893648 2.012140 0.295767
C -0.431491 1.825879 -1.836959
C 1.789069 0.995717 -0.116674
C 1.207482 2.839960 1.403068
C 3.004389 0.797621 0.576541
C 2.416107 2.644532 2.102417
C 3.294362 1.635272 1.683853
C 3.687688 -1.267727 -0.568888
C 2.626990 -2.128898 -0.214252
C 4.563178 -1.565730 -1.632257
C 2.432574 -3.309281 -0.965459
C 4.360583 -2.754609 -2.368626
C 3.294527 -3.625267 -2.041813
H -4.072610 -0.351937 2.828054
H -3.901765 2.053682 2.553204
H -4.899219 1.337143 -1.141669
H -3.359000 0.465276 -0.954179
H -4.903794 -0.434789 -0.922814
H -6.441718 1.764692 0.891872
H -6.601895 -0.008815 1.060577
H -6.070170 0.976591 2.453421
H -2.071413 -0.768030 0.456916
H -0.692612 3.326315 -0.360104
H 1.560853 0.369567 -0.985583
H 0.508072 3.620694 1.717449
H 2.688198 3.264636 2.961068
H 1.976820 -1.897975 0.634857
H 5.381745 -0.877378 -1.861751
H 1.610242 -3.981024 -0.699713
H 5.034633 -2.996771 -3.197290
H 3.139179 -4.543710 -2.617459


